N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide

C37H35ClN8O3 — CID 168678551

IUPACN-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide
SMILESCc1[nH]nc2ccc(C(=O)Nc3ccc4c(c3)nc(CN3CC=C(c5cccc(OCc6ccc(Cl)cn6)n5)CC3)n4C[C@@H]3CCO3)cc12
InChIInChI=1S/C37H35ClN8O3/c1-23-30-17-25(5-9-32(30)44-43-23)37(47)40-27-8-10-34-33(18-27)41-35(46(34)20-29-13-16-48-29)21-45-14-11-24(12-15-45)31-3-2-4-36(42-31)49-22-28-7-6-26(38)19-39-28/h2-11,17-19,29H,12-16,20-22H2,1H3,(H,40,47)(H,43,44)/t29-/m0/s1
InChIKeyXNEKVMNFVZYYHH-LJAQVGFWSA-N
MW675.19 g/mol
LogP6.57
Rot. Bonds10

About N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide

N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide (PubChem CID 168678551) has the molecular formula C37H35ClN8O3 and a molecular weight of 675.19 g/mol. Its IUPAC name is N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide
PubChem CID168678551
Molecular FormulaC37H35ClN8O3
Molecular Weight675.19 g/mol
Exact Mass674.25
IUPAC NameN-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide
SMILESCc1[nH]nc2ccc(C(=O)Nc3ccc4c(c3)nc(CN3CC=C(c5cccc(OCc6ccc(Cl)cn6)n5)CC3)n4C[C@@H]3CCO3)cc12
InChIInChI=1S/C37H35ClN8O3/c1-23-30-17-25(5-9-32(30)44-43-23)37(47)40-27-8-10-34-33(18-27)41-35(46(34)20-29-13-16-48-29)21-45-14-11-24(12-15-45)31-3-2-4-36(42-31)49-22-28-7-6-26(38)19-39-28/h2-11,17-19,29H,12-16,20-22H2,1H3,(H,40,47)(H,43,44)/t29-/m0/s1
InChIKeyXNEKVMNFVZYYHH-LJAQVGFWSA-N
XLogP6.57
TPSA123.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.19
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-(oxetan-2-ylmethyl)benzimidazol-5-yl]-3,7-dimethyl-2H-indazole-5-carboxamide
CID 170129206
N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxamide
CID 170135179
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-N-(3,7-dimethyl-2H-indazol-5-yl)-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxamide
CID 168678504
N-[2-[[4-[6-[(5-cyano-4-fluorothiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-7-fluoro-3-methyl-2H-indazole-5-carboxamide
CID 168678711
3-acetyl-N-[2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-2,3-dihydro-1H-indazole-5-carboxamide
CID 169169205
N-[2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]-3,7-dimethyl-2H-indazole-5-carboxamide
CID 169038189
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-N-(4-fluoro-3,7-dimethyl-2H-indazol-5-yl)-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxamide
CID 168678528
N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3H-benzimidazol-5-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide;(2R)-2-methyloxetane
CID 169169215
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(3-methyl-2H-indazol-5-yl)-1-(oxetan-2-ylmethyl)benzimidazole
CID 169168488
2-[[4-[6-[(4-cyano-2-methyl-1-benzothiophen-7-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-N-(7-fluoro-3-methyl-2H-indazol-5-yl)-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxamide
CID 168678699
N-[2-[[4-[6-[(5-cyano-3-fluoro-4-methylthiophen-2-yl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-methylbenzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide
CID 169168954
2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 172559414

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide?
The IUPAC name of N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide (CID 168678551) is N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide.
What is the SMILES notation for N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide?
The canonical SMILES for N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide is Cc1[nH]nc2ccc(C(=O)Nc3ccc4c(c3)nc(CN3CC=C(c5cccc(OCc6ccc(Cl)cn6)n5)CC3)n4C[C@@H]3CCO3)cc12.
What is the InChIKey of N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide?
The InChIKey is XNEKVMNFVZYYHH-LJAQVGFWSA-N. The full InChI is InChI=1S/C37H35ClN8O3/c1-23-30-17-25(5-9-32(30)44-43-23)37(47)40-27-8-10-34-33(18-27)41-35(46(34)20-29-13-16-48-29)21-45-14-11-24(12-15-45)31-3-2-4-36(42-31)49-22-28-7-6-26(38)19-39-28/h2-11,17-19,29H,12-16,20-22H2,1H3,(H,40,47)(H,43,44)/t29-/m0/s1.
What are the key properties of N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide?
N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide has a molecular weight of 675.19 g/mol, XLogP of 6.57, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[6-[(5-chloro-2-pyridinyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-3-methyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 168678551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).