N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide

C117H102F6N20O10 — CID 167570465

IUPACN-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccccc1F.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)n1.COc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cc(F)cc(F)c1
InChIInChI=1S/C25H21FN4O2.C24H21FN4O2.2C23H21FN4O2.C22H18F2N4O2/c1-3-32-23-12-17(9-10-21(23)16-5-4-6-20(26)11-16)25(31)30(2)15-19-8-7-18(13-27)22-14-28-29-24(19)22;1-29(14-17-6-2-5-16-13-26-28-22(16)17)24(30)21-11-10-20(15-4-3-7-18(25)12-15)23(27-21)31-19-8-9-19;1-3-30-22-19(15-6-5-9-18(24)12-15)10-11-20(26-22)23(29)28(2)14-17-8-4-7-16-13-25-27-21(16)17;1-3-30-22-18(17-9-4-5-10-19(17)24)11-12-20(26-22)23(29)28(2)14-16-8-6-7-15-13-25-27-21(15)16;1-28(12-14-5-3-4-13-11-25-27-20(13)14)22(29)19-7-6-18(21(26-19)30-2)15-8-16(23)10-17(24)9-15/h4-12,14H,3,15H2,1-2H3,(H,28,29);2-7,10-13,19H,8-9,14H2,1H3,(H,26,28);2*4-13H,3,14H2,1-2H3,(H,25,27);3-11H,12H2,1-2H3,(H,25,27)
InChIKeyFVNKTJHCNJGKRQ-UHFFFAOYSA-N
MW2062.22 g/mol
LogP22.54
Rot. Bonds29

About N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide

N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide (PubChem CID 167570465) has the molecular formula C117H102F6N20O10 and a molecular weight of 2062.22 g/mol. Its IUPAC name is N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide
PubChem CID167570465
Molecular FormulaC117H102F6N20O10
Molecular Weight2062.22 g/mol
Exact Mass2060.80
IUPAC NameN-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccccc1F.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)n1.COc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cc(F)cc(F)c1
InChIInChI=1S/C25H21FN4O2.C24H21FN4O2.2C23H21FN4O2.C22H18F2N4O2/c1-3-32-23-12-17(9-10-21(23)16-5-4-6-20(26)11-16)25(31)30(2)15-19-8-7-18(13-27)22-14-28-29-24(19)22;1-29(14-17-6-2-5-16-13-26-28-22(16)17)24(30)21-11-10-20(15-4-3-7-18(25)12-15)23(27-21)31-19-8-9-19;1-3-30-22-19(15-6-5-9-18(24)12-15)10-11-20(26-22)23(29)28(2)14-17-8-4-7-16-13-25-27-21(16)17;1-3-30-22-18(17-9-4-5-10-19(17)24)11-12-20(26-22)23(29)28(2)14-16-8-6-7-15-13-25-27-21(15)16;1-28(12-14-5-3-4-13-11-25-27-20(13)14)22(29)19-7-6-18(21(26-19)30-2)15-8-16(23)10-17(24)9-15/h4-12,14H,3,15H2,1-2H3,(H,28,29);2-7,10-13,19H,8-9,14H2,1H3,(H,26,28);2*4-13H,3,14H2,1-2H3,(H,25,27);3-11H,12H2,1-2H3,(H,25,27)
InChIKeyFVNKTJHCNJGKRQ-UHFFFAOYSA-N
XLogP22.54
TPSA366.45 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002062.22
LogP ≤ 522.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide (CID 167570465) is N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide is CCOc1cc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccccc1F.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)n1.COc1nc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1cc(F)cc(F)c1.
What is the InChIKey of N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is FVNKTJHCNJGKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2.C24H21FN4O2.2C23H21FN4O2.C22H18F2N4O2/c1-3-32-23-12-17(9-10-21(23)16-5-4-6-20(26)11-16)25(31)30(2)15-19-8-7-18(13-27)22-14-28-29-24(19)22;1-29(14-17-6-2-5-16-13-26-28-22(16)17)24(30)21-11-10-20(15-4-3-7-18(25)12-15)23(27-21)31-19-8-9-19;1-3-30-22-19(15-6-5-9-18(24)12-15)10-11-20(26-22)23(29)28(2)14-17-8-4-7-16-13-25-27-21(16)17;1-3-30-22-18(17-9-4-5-10-19(17)24)11-12-20(26-22)23(29)28(2)14-16-8-6-7-15-13-25-27-21(15)16;1-28(12-14-5-3-4-13-11-25-27-20(13)14)22(29)19-7-6-18(21(26-19)30-2)15-8-16(23)10-17(24)9-15/h4-12,14H,3,15H2,1-2H3,(H,28,29);2-7,10-13,19H,8-9,14H2,1H3,(H,26,28);2*4-13H,3,14H2,1-2H3,(H,25,27);3-11H,12H2,1-2H3,(H,25,27).
What are the key properties of N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide?
N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 2062.22 g/mol, XLogP of 22.54, 29 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167570465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).