3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine

C64H59Cl2F2N17O9 — CID 160703440

IUPAC3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine
SMILESCC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)O)ccc21.CC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)Nc3cncnc3)ccc21.Nc1cncnc1
InChIInChI=1S/C32H29ClFN9O4.C28H25ClFN5O5.C4H5N3/c1-18(2)42(15-27(44)40-25-9-5-7-22(29(25)34)21-6-3-4-8-24(21)33)28(45)16-43-26-11-10-19(12-23(26)30(41-43)31(35)46)38-32(47)39-20-13-36-17-37-14-20;1-15(2)34(13-23(36)32-21-9-5-7-18(25(21)30)17-6-3-4-8-20(17)29)24(37)14-35-22-11-10-16(28(39)40)12-19(22)26(33-35)27(31)38;5-4-1-6-3-7-2-4/h3-14,17-18H,15-16H2,1-2H3,(H2,35,46)(H,40,44)(H2,38,39,47);3-12,15H,13-14H2,1-2H3,(H2,31,38)(H,32,36)(H,39,40);1-3H,5H2
InChIKeyRQXKIGRHHIWLAI-UHFFFAOYSA-N
MW1319.19 g/mol
LogP9.13
Rot. Bonds19

About 3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine

3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine (PubChem CID 160703440) has the molecular formula C64H59Cl2F2N17O9 and a molecular weight of 1319.19 g/mol. Its IUPAC name is 3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine.

Molecular Properties

Compound Name3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine
PubChem CID160703440
Molecular FormulaC64H59Cl2F2N17O9
Molecular Weight1319.19 g/mol
Exact Mass1317.40
IUPAC Name3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine
SMILESCC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)O)ccc21.CC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)Nc3cncnc3)ccc21.Nc1cncnc1
InChIInChI=1S/C32H29ClFN9O4.C28H25ClFN5O5.C4H5N3/c1-18(2)42(15-27(44)40-25-9-5-7-22(29(25)34)21-6-3-4-8-24(21)33)28(45)16-43-26-11-10-19(12-23(26)30(41-43)31(35)46)38-32(47)39-20-13-36-17-37-14-20;1-15(2)34(13-23(36)32-21-9-5-7-18(25(21)30)17-6-3-4-8-20(17)29)24(37)14-35-22-11-10-16(28(39)40)12-19(22)26(33-35)27(31)38;5-4-1-6-3-7-2-4/h3-14,17-18H,15-16H2,1-2H3,(H2,35,46)(H,40,44)(H2,38,39,47);3-12,15H,13-14H2,1-2H3,(H2,31,38)(H,32,36)(H,39,40);1-3H,5H2
InChIKeyRQXKIGRHHIWLAI-UHFFFAOYSA-N
XLogP9.13
TPSA376.65 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001319.19
LogP ≤ 59.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine with MolForge

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Related Compounds

5-(tert-butylcarbamoylamino)-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 158932124
5-N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3,5-dicarboxamide;3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;methane;phenylmethanamine
CID 162184733
1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(3-cyanocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylmethyl)indazole-3-carboxamide;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 160853588
5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130300007
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazole-3,5-dicarboxamide
CID 130299940
tert-butyl N-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-5-yl]carbamate
CID 130324848
2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide
CID 130300078
methyl 3-carbamoyl-1-[2-[(3S,5R)-3-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-5-carboxylate
CID 126638704
1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylamino)indazole-3-carboxamide;1-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid
CID 160912938
4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 138636299
2-(3-acetyl-5-formamidoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 166957650
methyl 3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylate
CID 130299755

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine?
The IUPAC name of 3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine (CID 160703440) is 3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine.
What is the SMILES notation for 3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine?
The canonical SMILES for 3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine is CC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)O)ccc21.CC(C)N(CC(=O)Nc1cccc(-c2ccccc2Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)Nc3cncnc3)ccc21.Nc1cncnc1.
What is the InChIKey of 3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine?
The InChIKey is RQXKIGRHHIWLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClFN9O4.C28H25ClFN5O5.C4H5N3/c1-18(2)42(15-27(44)40-25-9-5-7-22(29(25)34)21-6-3-4-8-24(21)33)28(45)16-43-26-11-10-19(12-23(26)30(41-43)31(35)46)38-32(47)39-20-13-36-17-37-14-20;1-15(2)34(13-23(36)32-21-9-5-7-18(25(21)30)17-6-3-4-8-20(17)29)24(37)14-35-22-11-10-16(28(39)40)12-19(22)26(33-35)27(31)38;5-4-1-6-3-7-2-4/h3-14,17-18H,15-16H2,1-2H3,(H2,35,46)(H,40,44)(H2,38,39,47);3-12,15H,13-14H2,1-2H3,(H2,31,38)(H,32,36)(H,39,40);1-3H,5H2.
What are the key properties of 3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine?
3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine has a molecular weight of 1319.19 g/mol, XLogP of 9.13, 19 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-5-carboxylic acid;1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyrimidin-5-ylcarbamoylamino)indazole-3-carboxamide;pyrimidin-5-amine is sourced from PubChem (CID 160703440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).