N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C26H28N6O2 — CID 147506469

IUPACN-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCC[C@@H]2O)nc1-n1cccn1
InChIInChI=1S/C26H28N6O2/c1-17-20(15-18-7-9-19(10-8-18)21-11-14-31(2)30-21)16-23(28-25(17)32-13-4-12-27-32)26(34)29-22-5-3-6-24(22)33/h4,7-14,16,22,24,33H,3,5-6,15H2,1-2H3,(H,29,34)/t22-,24-/m0/s1
InChIKeyFIKYSWGSHRQLQO-UPVQGACJSA-N
MW456.55 g/mol
LogP3.21
Rot. Bonds6

About N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 147506469) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID147506469
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC NameN-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCC[C@@H]2O)nc1-n1cccn1
InChIInChI=1S/C26H28N6O2/c1-17-20(15-18-7-9-19(10-8-18)21-11-14-31(2)30-21)16-23(28-25(17)32-13-4-12-27-32)26(34)29-22-5-3-6-24(22)33/h4,7-14,16,22,24,33H,3,5-6,15H2,1-2H3,(H,29,34)/t22-,24-/m0/s1
InChIKeyFIKYSWGSHRQLQO-UPVQGACJSA-N
XLogP3.21
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-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-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 147506469) is N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCC[C@@H]2O)nc1-n1cccn1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is FIKYSWGSHRQLQO-UPVQGACJSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-17-20(15-18-7-9-19(10-8-18)21-11-14-31(2)30-21)16-23(28-25(17)32-13-4-12-27-32)26(34)29-22-5-3-6-24(22)33/h4,7-14,16,22,24,33H,3,5-6,15H2,1-2H3,(H,29,34)/t22-,24-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 147506469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).