N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

C23H28N6O3 — CID 123501107

IUPACN-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(NC(=O)Nc1cc2[nH]nc(C(=O)NCC3CCCC(O)C3)c2cn1)c1ccccc1
InChIInChI=1S/C23H28N6O3/c1-14(16-7-3-2-4-8-16)26-23(32)27-20-11-19-18(13-24-20)21(29-28-19)22(31)25-12-15-6-5-9-17(30)10-15/h2-4,7-8,11,13-15,17,30H,5-6,9-10,12H2,1H3,(H,25,31)(H,28,29)(H2,24,26,27,32)
InChIKeyHEEJTKKHFDOCFG-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.12
Rot. Bonds6

About N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 123501107) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID123501107
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(NC(=O)Nc1cc2[nH]nc(C(=O)NCC3CCCC(O)C3)c2cn1)c1ccccc1
InChIInChI=1S/C23H28N6O3/c1-14(16-7-3-2-4-8-16)26-23(32)27-20-11-19-18(13-24-20)21(29-28-19)22(31)25-12-15-6-5-9-17(30)10-15/h2-4,7-8,11,13-15,17,30H,5-6,9-10,12H2,1H3,(H,25,31)(H,28,29)(H2,24,26,27,32)
InChIKeyHEEJTKKHFDOCFG-UHFFFAOYSA-N
XLogP3.12
TPSA132.03 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-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

1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381040
1-[3-(4-hydroxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118380878
1-[3-(oxan-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123839512
1-[3-(oxolan-2-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118380817
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
1-[3-[[3-(dimethylamino)cyclobutyl]amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381247
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide
CID 118380874
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465
N,N-dimethyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]acetamide
CID 118365087
1-[3-(2-methoxyethylsulfanylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 135293185
1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123854456

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 123501107) is N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC(NC(=O)Nc1cc2[nH]nc(C(=O)NCC3CCCC(O)C3)c2cn1)c1ccccc1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is HEEJTKKHFDOCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-14(16-7-3-2-4-8-16)26-23(32)27-20-11-19-18(13-24-20)21(29-28-19)22(31)25-12-15-6-5-9-17(30)10-15/h2-4,7-8,11,13-15,17,30H,5-6,9-10,12H2,1H3,(H,25,31)(H,28,29)(H2,24,26,27,32).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 123501107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).