N-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide

C29H29F3N4O3 — CID 44560813

IUPACN-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(=O)NC5CCCC5)CC4)cc2)CC3)cc1
InChIInChI=1S/C29H29F3N4O3/c1-39-22-12-10-21(11-13-22)36-24-23(25(34-36)29(30,31)32)14-17-35(26(24)37)20-8-6-18(7-9-20)28(15-16-28)27(38)33-19-4-2-3-5-19/h6-13,19H,2-5,14-17H2,1H3,(H,33,38)
InChIKeyPRKFVJSXDKZXBM-UHFFFAOYSA-N
MW538.57 g/mol
LogP5.19
Rot. Bonds6

About N-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide

N-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide (PubChem CID 44560813) has the molecular formula C29H29F3N4O3 and a molecular weight of 538.57 g/mol. Its IUPAC name is N-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide
PubChem CID44560813
Molecular FormulaC29H29F3N4O3
Molecular Weight538.57 g/mol
Exact Mass538.22
IUPAC NameN-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(=O)NC5CCCC5)CC4)cc2)CC3)cc1
InChIInChI=1S/C29H29F3N4O3/c1-39-22-12-10-21(11-13-22)36-24-23(25(34-36)29(30,31)32)14-17-35(26(24)37)20-8-6-18(7-9-20)28(15-16-28)27(38)33-19-4-2-3-5-19/h6-13,19H,2-5,14-17H2,1H3,(H,33,38)
InChIKeyPRKFVJSXDKZXBM-UHFFFAOYSA-N
XLogP5.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.57
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide (CID 44560813) is N-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(=O)NC5CCCC5)CC4)cc2)CC3)cc1.
What is the InChIKey of N-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is PRKFVJSXDKZXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4O3/c1-39-22-12-10-21(11-13-22)36-24-23(25(34-36)29(30,31)32)14-17-35(26(24)37)20-8-6-18(7-9-20)28(15-16-28)27(38)33-19-4-2-3-5-19/h6-13,19H,2-5,14-17H2,1H3,(H,33,38).
What are the key properties of N-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide?
N-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 538.57 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 44560813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).