4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide

C28H28N6O3 — CID 58385508

IUPAC4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCc1cccc(-n2nc(C3CCCC3)cc2NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2)c1
InChIInChI=1S/C28H28N6O3/c1-18-5-4-8-21(15-18)34-26(17-24(33-34)19-6-2-3-7-19)32-28(36)31-20-9-11-22(12-10-20)37-23-13-14-30-25(16-23)27(29)35/h4-5,8-17,19H,2-3,6-7H2,1H3,(H2,29,35)(H2,31,32,36)
InChIKeyZXBWBQPEPGDXKL-UHFFFAOYSA-N
MW496.57 g/mol
LogP5.77
Rot. Bonds7

About 4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide

4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 58385508) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is 4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
PubChem CID58385508
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC Name4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCc1cccc(-n2nc(C3CCCC3)cc2NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2)c1
InChIInChI=1S/C28H28N6O3/c1-18-5-4-8-21(15-18)34-26(17-24(33-34)19-6-2-3-7-19)32-28(36)31-20-9-11-22(12-10-20)37-23-13-14-30-25(16-23)27(29)35/h4-5,8-17,19H,2-3,6-7H2,1H3,(H2,29,35)(H2,31,32,36)
InChIKeyZXBWBQPEPGDXKL-UHFFFAOYSA-N
XLogP5.77
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58385353
4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide
CID 58385328
4-[4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58385327
4-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide
CID 58385355
4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58385436
4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58385495
N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 11947961
4-[4-[[3-tert-butyl-1-(3-hydroxyphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-ethylpyridine-2-carboxamide
CID 143480007
4-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-3-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 58385486
4-[4-[[3-tert-butyl-1-(3,5-dimethylphenyl)pyrazol-5-yl]carbamoylamino]-2-chlorophenoxy]pyridine-2-carboxamide
CID 58385506
1-[3-cyclobutyl-1-(3,5-difluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea
CID 141209843
4-[4-[carbamoyl-[3-cyclopentyl-1-(3,5-difluorophenyl)pyrazol-5-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 67330479

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 58385508) is 4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide is Cc1cccc(-n2nc(C3CCCC3)cc2NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2)c1.
What is the InChIKey of 4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is ZXBWBQPEPGDXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3/c1-18-5-4-8-21(15-18)34-26(17-24(33-34)19-6-2-3-7-19)32-28(36)31-20-9-11-22(12-10-20)37-23-13-14-30-25(16-23)27(29)35/h4-5,8-17,19H,2-3,6-7H2,1H3,(H2,29,35)(H2,31,32,36).
What are the key properties of 4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 5.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 58385508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).