N-[(1S,2S)-2-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C24H23N5O3 — CID 146784891

IUPACN-[(1S,2S)-2-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CC[C@@H]4O)nc(-n4cccn4)c3)cc2)co1
InChIInChI=1S/C24H23N5O3/c1-15-26-21(14-32-15)18-5-3-16(4-6-18)11-17-12-20(24(31)28-19-7-8-22(19)30)27-23(13-17)29-10-2-9-25-29/h2-6,9-10,12-14,19,22,30H,7-8,11H2,1H3,(H,28,31)/t19-,22-/m0/s1
InChIKeyRUORJDBELHBPTH-UGKGYDQZSA-N
MW429.48 g/mol
LogP3.07
Rot. Bonds6

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

N-[(1S,2S)-2-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 146784891) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID146784891
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-[(1S,2S)-2-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CC[C@@H]4O)nc(-n4cccn4)c3)cc2)co1
InChIInChI=1S/C24H23N5O3/c1-15-26-21(14-32-15)18-5-3-16(4-6-18)11-17-12-20(24(31)28-19-7-8-22(19)30)27-23(13-17)29-10-2-9-25-29/h2-6,9-10,12-14,19,22,30H,7-8,11H2,1H3,(H,28,31)/t19-,22-/m0/s1
InChIKeyRUORJDBELHBPTH-UGKGYDQZSA-N
XLogP3.07
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S,2S)-2-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-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-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 146784891) is N-[(1S,2S)-2-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CC[C@@H]4O)nc(-n4cccn4)c3)cc2)co1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is RUORJDBELHBPTH-UGKGYDQZSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-15-26-21(14-32-15)18-5-3-16(4-6-18)11-17-12-20(24(31)28-19-7-8-22(19)30)27-23(13-17)29-10-2-9-25-29/h2-6,9-10,12-14,19,22,30H,7-8,11H2,1H3,(H,28,31)/t19-,22-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.07, 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-hydroxycyclobutyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 146784891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).