N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide

C27H28N4O3 — CID 154998779

IUPACN-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(O)CC3)c3ccncc23)cc1
InChIInChI=1S/C27H28N4O3/c1-34-25-5-3-2-4-22(25)27(33)29-16-18-6-8-19(9-7-18)26-23-17-28-15-14-24(23)31(30-26)20-10-12-21(32)13-11-20/h2-9,14-15,17,20-21,32H,10-13,16H2,1H3,(H,29,33)
InChIKeyMIJUTFDLLFWNIR-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.51
Rot. Bonds6

About N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide

N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide (PubChem CID 154998779) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide
PubChem CID154998779
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(O)CC3)c3ccncc23)cc1
InChIInChI=1S/C27H28N4O3/c1-34-25-5-3-2-4-22(25)27(33)29-16-18-6-8-19(9-7-18)26-23-17-28-15-14-24(23)31(30-26)20-10-12-21(32)13-11-20/h2-9,14-15,17,20-21,32H,10-13,16H2,1H3,(H,29,33)
InChIKeyMIJUTFDLLFWNIR-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide 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-[[4-(1-cyclopentylpyrazolo[4,3-c]pyridin-3-yl)phenyl]methyl]-2-methylbenzamide
CID 163552673
5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163600712
N-[[4-[1-(3-hydroxycyclohexyl)pyrrolo[3,2-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 177290518
5-amino-1-cyclobutyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248209
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129247863
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;formaldehyde
CID 145332772
4-[4-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexane-1-carboxylic acid
CID 126717838
N-[[4-[5-amino-4-(aminomethyl)-1-(4,4-difluorocyclohexyl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 170414753
N-[[4-[4-amino-1-(4-oxocyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 126717870
N-[[4-[4-cyano-5-(methylamino)-1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 137358456
N-[[4-[5-amino-4-cyano-1-(2,3-dihydro-1H-inden-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 137358783
4-[4-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid
CID 118579161

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide (CID 154998779) is N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(O)CC3)c3ccncc23)cc1.
What is the InChIKey of N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide?
The InChIKey is MIJUTFDLLFWNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-34-25-5-3-2-4-22(25)27(33)29-16-18-6-8-19(9-7-18)26-23-17-28-15-14-24(23)31(30-26)20-10-12-21(32)13-11-20/h2-9,14-15,17,20-21,32H,10-13,16H2,1H3,(H,29,33).
What are the key properties of N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide?
N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide has a molecular weight of 456.55 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 154998779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).