5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide

C25H27N5O2 — CID 170094942

IUPAC5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide
SMILESCC1C=C(c2ccc3ccc(-c4nn(C5CC(C)(O)C5)c(N)c4C(N)=O)cc3n2)C=CC1
InChIInChI=1S/C25H27N5O2/c1-14-4-3-5-16(10-14)19-9-8-15-6-7-17(11-20(15)28-19)22-21(24(27)31)23(26)30(29-22)18-12-25(2,32)13-18/h3,5-11,14,18,32H,4,12-13,26H2,1-2H3,(H2,27,31)
InChIKeyRHFSQOISXCQOPG-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.84
Rot. Bonds4

About 5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide

5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide (PubChem CID 170094942) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide
PubChem CID170094942
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide
SMILESCC1C=C(c2ccc3ccc(-c4nn(C5CC(C)(O)C5)c(N)c4C(N)=O)cc3n2)C=CC1
InChIInChI=1S/C25H27N5O2/c1-14-4-3-5-16(10-14)19-9-8-15-6-7-17(11-20(15)28-19)22-21(24(27)31)23(26)30(29-22)18-12-25(2,32)13-18/h3,5-11,14,18,32H,4,12-13,26H2,1-2H3,(H2,27,31)
InChIKeyRHFSQOISXCQOPG-UHFFFAOYSA-N
XLogP3.84
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-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 5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide (CID 170094942) is 5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide is CC1C=C(c2ccc3ccc(-c4nn(C5CC(C)(O)C5)c(N)c4C(N)=O)cc3n2)C=CC1.
What is the InChIKey of 5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide?
The InChIKey is RHFSQOISXCQOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-14-4-3-5-16(10-14)19-9-8-15-6-7-17(11-20(15)28-19)22-21(24(27)31)23(26)30(29-22)18-12-25(2,32)13-18/h3,5-11,14,18,32H,4,12-13,26H2,1-2H3,(H2,27,31).
What are the key properties of 5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide?
5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-hydroxy-3-methylcyclobutyl)-3-[2-(3-methylcyclohexa-1,5-dien-1-yl)quinolin-7-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 170094942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).