N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide

C31H29N5O2 — CID 166027476

IUPACN-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide
SMILESCOc1ccc(CN2[C@H]3CC[C@@H]2[C@H](NC(=O)c2ccc4c(cnn4-c4ccc5ccccc5n4)c2)C3)cc1
InChIInChI=1S/C31H29N5O2/c1-38-25-11-6-20(7-12-25)19-35-24-10-14-29(35)27(17-24)34-31(37)22-8-13-28-23(16-22)18-32-36(28)30-15-9-21-4-2-3-5-26(21)33-30/h2-9,11-13,15-16,18,24,27,29H,10,14,17,19H2,1H3,(H,34,37)/t24-,27+,29+/m0/s1
InChIKeyCHRYJDIVQREAFU-WIDNXDAUSA-N
MW503.61 g/mol
LogP5.12
Rot. Bonds6

About N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide

N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide (PubChem CID 166027476) has the molecular formula C31H29N5O2 and a molecular weight of 503.61 g/mol. Its IUPAC name is N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide
PubChem CID166027476
Molecular FormulaC31H29N5O2
Molecular Weight503.61 g/mol
Exact Mass503.23
IUPAC NameN-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide
SMILESCOc1ccc(CN2[C@H]3CC[C@@H]2[C@H](NC(=O)c2ccc4c(cnn4-c4ccc5ccccc5n4)c2)C3)cc1
InChIInChI=1S/C31H29N5O2/c1-38-25-11-6-20(7-12-25)19-35-24-10-14-29(35)27(17-24)34-31(37)22-8-13-28-23(16-22)18-32-36(28)30-15-9-21-4-2-3-5-26(21)33-30/h2-9,11-13,15-16,18,24,27,29H,10,14,17,19H2,1H3,(H,34,37)/t24-,27+,29+/m0/s1
InChIKeyCHRYJDIVQREAFU-WIDNXDAUSA-N
XLogP5.12
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide (CID 166027476) is N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide is COc1ccc(CN2[C@H]3CC[C@@H]2[C@H](NC(=O)c2ccc4c(cnn4-c4ccc5ccccc5n4)c2)C3)cc1.
What is the InChIKey of N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide?
The InChIKey is CHRYJDIVQREAFU-WIDNXDAUSA-N. The full InChI is InChI=1S/C31H29N5O2/c1-38-25-11-6-20(7-12-25)19-35-24-10-14-29(35)27(17-24)34-31(37)22-8-13-28-23(16-22)18-32-36(28)30-15-9-21-4-2-3-5-26(21)33-30/h2-9,11-13,15-16,18,24,27,29H,10,14,17,19H2,1H3,(H,34,37)/t24-,27+,29+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide?
N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide has a molecular weight of 503.61 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]-1-quinolin-2-ylindazole-5-carboxamide is sourced from PubChem (CID 166027476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).