1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one

C29H21ClF5N5O2 — CID 153224744

IUPAC1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one
SMILESO=C(c1cc(-c2cccnc2)n(-c2ccc(Cl)c(C(F)(F)F)c2)n1)N1CCC(N2C(=O)Cc3ccc(F)c(F)c32)CC1
InChIInChI=1S/C29H21ClF5N5O2/c30-21-5-4-19(13-20(21)29(33,34)35)40-24(17-2-1-9-36-15-17)14-23(37-40)28(42)38-10-7-18(8-11-38)39-25(41)12-16-3-6-22(31)26(32)27(16)39/h1-6,9,13-15,18H,7-8,10-12H2
InChIKeyWOJGCWBETJNURW-UHFFFAOYSA-N
MW601.96 g/mol
LogP6.08
Rot. Bonds4

About 1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one

1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one (PubChem CID 153224744) has the molecular formula C29H21ClF5N5O2 and a molecular weight of 601.96 g/mol. Its IUPAC name is 1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one.

Molecular Properties

Compound Name1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one
PubChem CID153224744
Molecular FormulaC29H21ClF5N5O2
Molecular Weight601.96 g/mol
Exact Mass601.13
IUPAC Name1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one
SMILESO=C(c1cc(-c2cccnc2)n(-c2ccc(Cl)c(C(F)(F)F)c2)n1)N1CCC(N2C(=O)Cc3ccc(F)c(F)c32)CC1
InChIInChI=1S/C29H21ClF5N5O2/c30-21-5-4-19(13-20(21)29(33,34)35)40-24(17-2-1-9-36-15-17)14-23(37-40)28(42)38-10-7-18(8-11-38)39-25(41)12-16-3-6-22(31)26(32)27(16)39/h1-6,9,13-15,18H,7-8,10-12H2
InChIKeyWOJGCWBETJNURW-UHFFFAOYSA-N
XLogP6.08
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.96
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-5-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 137662068
(3-Chloropyrazolo[1,5-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57394859
4-[(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-2-carbonitrile
CID 117821319
US9951086, Example 28
CID 118172944
US10889564, Example 36
CID 129104750
(3-chlorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 140268012
(1-Benzyl-3-pyridin-3-ylpyrazol-4-yl)-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 16284604
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone
CID 57394858
(6-Chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57401861
(7E)-1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-5-[2-(methanesulfonamido)acetyl]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
CID 134135465
(7E)-5-(3-amino-3-oxopropanoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
CID 134136117
(7E)-5-(4-amino-4-oxobutanoyl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-[(1R)-1-pyridin-2-ylethyl]-4,6-dihydropyrazolo[4,5-c]pyridine-3-carboxamide
CID 134138518

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one?
The IUPAC name of 1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one (CID 153224744) is 1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one.
What is the SMILES notation for 1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one?
The canonical SMILES for 1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one is O=C(c1cc(-c2cccnc2)n(-c2ccc(Cl)c(C(F)(F)F)c2)n1)N1CCC(N2C(=O)Cc3ccc(F)c(F)c32)CC1.
What is the InChIKey of 1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one?
The InChIKey is WOJGCWBETJNURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21ClF5N5O2/c30-21-5-4-19(13-20(21)29(33,34)35)40-24(17-2-1-9-36-15-17)14-23(37-40)28(42)38-10-7-18(8-11-38)39-25(41)12-16-3-6-22(31)26(32)27(16)39/h1-6,9,13-15,18H,7-8,10-12H2.
What are the key properties of 1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one?
1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one has a molecular weight of 601.96 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6,7-difluoro-3H-indol-2-one is sourced from PubChem (CID 153224744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).