7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide

C163H167Cl6N45O17 — CID 159176913

IUPAC7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)c1ccccn1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)c1cccnc1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC1CCCC1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NCCN(C)C.COc1cc(-c2nc(Cc3ccc4n[nH]c(C)c4c3)n(C)n2)ccc1OCC(=O)NC(C)C.Cn1nc(-c2ccc(N)nc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc3c(c2)OCCC3O)nc1Cc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/2C27H26ClN7O3.C25H27ClN6O3.C24H28ClN7O3.C24H28N6O3.C20H18ClN5O2.C16H14ClN7/c1-16(19-5-4-10-29-13-19)31-25(36)15-38-22-9-7-18(11-23(22)37-3)27-32-24(35(2)34-27)12-17-6-8-21-20(26(17)28)14-30-33-21;1-16(20-6-4-5-11-29-20)31-25(36)15-38-22-10-8-18(12-23(22)37-3)27-32-24(35(2)34-27)13-17-7-9-21-19(26(17)28)14-30-33-21;1-32-22(12-15-7-9-19-18(24(15)26)13-27-30-19)29-25(31-32)16-8-10-20(21(11-16)34-2)35-14-23(33)28-17-5-3-4-6-17;1-31(2)10-9-26-22(33)14-35-19-8-6-16(11-20(19)34-4)24-28-21(32(3)30-24)12-15-5-7-18-17(23(15)25)13-27-29-18;1-14(2)25-23(31)13-33-20-9-7-17(12-21(20)32-5)24-26-22(30(4)29-24)11-16-6-8-19-18(10-16)15(3)27-28-19;1-26-18(9-11-3-5-15-14(19(11)21)10-22-24-15)23-20(25-26)12-2-4-13-16(27)6-7-28-17(13)8-12;1-24-14(21-16(23-24)10-3-5-13(18)19-7-10)6-9-2-4-12-11(15(9)17)8-20-22-12/h4-11,13-14,16H,12,15H2,1-3H3,(H,30,33)(H,31,36);4-12,14,16H,13,15H2,1-3H3,(H,30,33)(H,31,36);7-11,13,17H,3-6,12,14H2,1-2H3,(H,27,30)(H,28,33);5-8,11,13H,9-10,12,14H2,1-4H3,(H,26,33)(H,27,29);6-10,12,14H,11,13H2,1-5H3,(H,25,31)(H,27,28);2-5,8,10,16,27H,6-7,9H2,1H3,(H,22,24);2-5,7-8H,6H2,1H3,(H2,18,19)(H,20,22)
InChIKeyKMJXRFIKOQXTEV-UHFFFAOYSA-N
MW3241.14 g/mol
LogP24.41
Rot. Bonds50

About 7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide

7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 159176913) has the molecular formula C163H167Cl6N45O17 and a molecular weight of 3241.14 g/mol. Its IUPAC name is 7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
PubChem CID159176913
Molecular FormulaC163H167Cl6N45O17
Molecular Weight3241.14 g/mol
Exact Mass3236.17
IUPAC Name7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)c1ccccn1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)c1cccnc1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC1CCCC1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NCCN(C)C.COc1cc(-c2nc(Cc3ccc4n[nH]c(C)c4c3)n(C)n2)ccc1OCC(=O)NC(C)C.Cn1nc(-c2ccc(N)nc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc3c(c2)OCCC3O)nc1Cc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/2C27H26ClN7O3.C25H27ClN6O3.C24H28ClN7O3.C24H28N6O3.C20H18ClN5O2.C16H14ClN7/c1-16(19-5-4-10-29-13-19)31-25(36)15-38-22-9-7-18(11-23(22)37-3)27-32-24(35(2)34-27)12-17-6-8-21-20(26(17)28)14-30-33-21;1-16(20-6-4-5-11-29-20)31-25(36)15-38-22-10-8-18(12-23(22)37-3)27-32-24(35(2)34-27)13-17-7-9-21-19(26(17)28)14-30-33-21;1-32-22(12-15-7-9-19-18(24(15)26)13-27-30-19)29-25(31-32)16-8-10-20(21(11-16)34-2)35-14-23(33)28-17-5-3-4-6-17;1-31(2)10-9-26-22(33)14-35-19-8-6-16(11-20(19)34-4)24-28-21(32(3)30-24)12-15-5-7-18-17(23(15)25)13-27-29-18;1-14(2)25-23(31)13-33-20-9-7-17(12-21(20)32-5)24-26-22(30(4)29-24)11-16-6-8-19-18(10-16)15(3)27-28-19;1-26-18(9-11-3-5-15-14(19(11)21)10-22-24-15)23-20(25-26)12-2-4-13-16(27)6-7-28-17(13)8-12;1-24-14(21-16(23-24)10-3-5-13(18)19-7-10)6-9-2-4-12-11(15(9)17)8-20-22-12/h4-11,13-14,16H,12,15H2,1-3H3,(H,30,33)(H,31,36);4-12,14,16H,13,15H2,1-3H3,(H,30,33)(H,31,36);7-11,13,17H,3-6,12,14H2,1-2H3,(H,27,30)(H,28,33);5-8,11,13H,9-10,12,14H2,1-4H3,(H,26,33)(H,27,29);6-10,12,14H,11,13H2,1-5H3,(H,25,31)(H,27,28);2-5,8,10,16,27H,6-7,9H2,1H3,(H,22,24);2-5,7-8H,6H2,1H3,(H2,18,19)(H,20,22)
InChIKeyKMJXRFIKOQXTEV-UHFFFAOYSA-N
XLogP24.41
TPSA750.92 Ų
H-Bond Donors14
H-Bond Acceptors50
Rotatable Bonds50
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003241.14
LogP ≤ 524.41
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1050

Analyze 7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide (CID 159176913) is 7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide is COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)c1ccccn1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)c1cccnc1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC1CCCC1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NCCN(C)C.COc1cc(-c2nc(Cc3ccc4n[nH]c(C)c4c3)n(C)n2)ccc1OCC(=O)NC(C)C.Cn1nc(-c2ccc(N)nc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc3c(c2)OCCC3O)nc1Cc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of 7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is KMJXRFIKOQXTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H26ClN7O3.C25H27ClN6O3.C24H28ClN7O3.C24H28N6O3.C20H18ClN5O2.C16H14ClN7/c1-16(19-5-4-10-29-13-19)31-25(36)15-38-22-9-7-18(11-23(22)37-3)27-32-24(35(2)34-27)12-17-6-8-21-20(26(17)28)14-30-33-21;1-16(20-6-4-5-11-29-20)31-25(36)15-38-22-10-8-18(12-23(22)37-3)27-32-24(35(2)34-27)13-17-7-9-21-19(26(17)28)14-30-33-21;1-32-22(12-15-7-9-19-18(24(15)26)13-27-30-19)29-25(31-32)16-8-10-20(21(11-16)34-2)35-14-23(33)28-17-5-3-4-6-17;1-31(2)10-9-26-22(33)14-35-19-8-6-16(11-20(19)34-4)24-28-21(32(3)30-24)12-15-5-7-18-17(23(15)25)13-27-29-18;1-14(2)25-23(31)13-33-20-9-7-17(12-21(20)32-5)24-26-22(30(4)29-24)11-16-6-8-19-18(10-16)15(3)27-28-19;1-26-18(9-11-3-5-15-14(19(11)21)10-22-24-15)23-20(25-26)12-2-4-13-16(27)6-7-28-17(13)8-12;1-24-14(21-16(23-24)10-3-5-13(18)19-7-10)6-9-2-4-12-11(15(9)17)8-20-22-12/h4-11,13-14,16H,12,15H2,1-3H3,(H,30,33)(H,31,36);4-12,14,16H,13,15H2,1-3H3,(H,30,33)(H,31,36);7-11,13,17H,3-6,12,14H2,1-2H3,(H,27,30)(H,28,33);5-8,11,13H,9-10,12,14H2,1-4H3,(H,26,33)(H,27,29);6-10,12,14H,11,13H2,1-5H3,(H,25,31)(H,27,28);2-5,8,10,16,27H,6-7,9H2,1H3,(H,22,24);2-5,7-8H,6H2,1H3,(H2,18,19)(H,20,22).
What are the key properties of 7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 3241.14 g/mol, XLogP of 24.41, 50 rotatable bonds, 14 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3,4-dihydro-2H-chromen-4-ol;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-cyclopentylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-[2-(dimethylamino)ethyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-2-ylethyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-pyridin-3-ylethyl)acetamide;5-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine;2-[2-methoxy-4-[1-methyl-5-[(3-methyl-2H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 159176913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).