N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide

C27H24FN5O3 — CID 154055507

IUPACN-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3cccc(F)c3)n2)c(O)c1)c1cccnc1
InChIInChI=1S/C27H24FN5O3/c28-20-8-1-4-17(12-20)15-30-27(36)33-24(18-5-2-6-18)14-23(32-33)22-10-9-21(13-25(22)34)31-26(35)19-7-3-11-29-16-19/h1,3-4,7-14,16,18,34H,2,5-6,15H2,(H,30,36)(H,31,35)
InChIKeySZYOODAYROLCEJ-UHFFFAOYSA-N
MW485.52 g/mol
LogP5.07
Rot. Bonds6

About N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide

N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide (PubChem CID 154055507) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
PubChem CID154055507
Molecular FormulaC27H24FN5O3
Molecular Weight485.52 g/mol
Exact Mass485.19
IUPAC NameN-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3cccc(F)c3)n2)c(O)c1)c1cccnc1
InChIInChI=1S/C27H24FN5O3/c28-20-8-1-4-17(12-20)15-30-27(36)33-24(18-5-2-6-18)14-23(32-33)22-10-9-21(13-25(22)34)31-26(35)19-7-3-11-29-16-19/h1,3-4,7-14,16,18,34H,2,5-6,15H2,(H,30,36)(H,31,35)
InChIKeySZYOODAYROLCEJ-UHFFFAOYSA-N
XLogP5.07
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.52
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055504
N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055470
5-cyclobutyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055947
5-cyclopentyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055933
3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055783
N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055473
N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055519
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide
CID 154055258
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154055074
N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154056050
5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055837
5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055851

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide (CID 154055507) is N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3cccc(F)c3)n2)c(O)c1)c1cccnc1.
What is the InChIKey of N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The InChIKey is SZYOODAYROLCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3/c28-20-8-1-4-17(12-20)15-30-27(36)33-24(18-5-2-6-18)14-23(32-33)22-10-9-21(13-25(22)34)31-26(35)19-7-3-11-29-16-19/h1,3-4,7-14,16,18,34H,2,5-6,15H2,(H,30,36)(H,31,35).
What are the key properties of N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide has a molecular weight of 485.52 g/mol, XLogP of 5.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 154055507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).