cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide

C32H36FN5O3 — CID 159967949

IUPACcis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCOc1ncccc1C(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(C)cn2)C1
InChIInChI=1S/C32H36FN5O3/c1-18(2)30-25-14-22(15-26(33)29(25)37-38(30)4)24-16-28(35-17-19(24)3)36-31(40)21-9-6-8-20(12-21)13-27(39)23-10-7-11-34-32(23)41-5/h7,10-11,14-18,20-21H,6,8-9,12-13H2,1-5H3,(H,35,36,40)/t20-,21+/m1/s1
InChIKeyOEEFGVCTPHQKOL-RTWAWAEBSA-N
MW557.67 g/mol
LogP6.63
Rot. Bonds8

About cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide

cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 159967949) has the molecular formula C32H36FN5O3 and a molecular weight of 557.67 g/mol. Its IUPAC name is cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID159967949
Molecular FormulaC32H36FN5O3
Molecular Weight557.67 g/mol
Exact Mass557.28
IUPAC Namecis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCOc1ncccc1C(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(C)cn2)C1
InChIInChI=1S/C32H36FN5O3/c1-18(2)30-25-14-22(15-26(33)29(25)37-38(30)4)24-16-28(35-17-19(24)3)36-31(40)21-9-6-8-20(12-21)13-27(39)23-10-7-11-34-32(23)41-5/h7,10-11,14-18,20-21H,6,8-9,12-13H2,1-5H3,(H,35,36,40)/t20-,21+/m1/s1
InChIKeyOEEFGVCTPHQKOL-RTWAWAEBSA-N
XLogP6.63
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.67
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-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 cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide (CID 159967949) is cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide is COc1ncccc1C(=O)C[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cc(F)c4nn(C)c(C(C)C)c4c3)c(C)cn2)C1.
What is the InChIKey of cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is OEEFGVCTPHQKOL-RTWAWAEBSA-N. The full InChI is InChI=1S/C32H36FN5O3/c1-18(2)30-25-14-22(15-26(33)29(25)37-38(30)4)24-16-28(35-17-19(24)3)36-31(40)21-9-6-8-20(12-21)13-27(39)23-10-7-11-34-32(23)41-5/h7,10-11,14-18,20-21H,6,8-9,12-13H2,1-5H3,(H,35,36,40)/t20-,21+/m1/s1.
What are the key properties of cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide?
cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 557.67 g/mol, XLogP of 6.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[4-(7-fluoro-2-methyl-3-propan-2-ylindazol-5-yl)-5-methyl-2-pyridinyl]-3-[2-(2-methoxy-3-pyridinyl)-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 159967949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).