N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide

C27H28N4O3 — CID 71281209

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
SMILESCOc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-n3cccn3)nc2)c2ccccc12
InChIInChI=1S/C27H28N4O3/c1-34-26-21-8-3-2-7-20(21)19(15-18-11-12-25(28-17-18)31-14-6-13-29-31)16-22(26)27(33)30-23-9-4-5-10-24(23)32/h2-3,6-8,11-14,16-17,23-24,32H,4-5,9-10,15H2,1H3,(H,30,33)/t23-,24-/m0/s1
InChIKeyLCBWGNVXKRCQQH-ZEQRLZLVSA-N
MW456.55 g/mol
LogP4.05
Rot. Bonds6

About N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide (PubChem CID 71281209) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
PubChem CID71281209
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
SMILESCOc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-n3cccn3)nc2)c2ccccc12
InChIInChI=1S/C27H28N4O3/c1-34-26-21-8-3-2-7-20(21)19(15-18-11-12-25(28-17-18)31-14-6-13-29-31)16-22(26)27(33)30-23-9-4-5-10-24(23)32/h2-3,6-8,11-14,16-17,23-24,32H,4-5,9-10,15H2,1H3,(H,30,33)/t23-,24-/m0/s1
InChIKeyLCBWGNVXKRCQQH-ZEQRLZLVSA-N
XLogP4.05
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-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-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide (CID 71281209) is N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide is COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(-n3cccn3)nc2)c2ccccc12.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The InChIKey is LCBWGNVXKRCQQH-ZEQRLZLVSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-34-26-21-8-3-2-7-20(21)19(15-18-11-12-25(28-17-18)31-14-6-13-29-31)16-22(26)27(33)30-23-9-4-5-10-24(23)32/h2-3,6-8,11-14,16-17,23-24,32H,4-5,9-10,15H2,1H3,(H,30,33)/t23-,24-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 71281209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).