6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one

C23H25F3N4O3 — CID 170020508

IUPAC6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESCC(C)C1CCN(C(=O)c2ccc(-c3cn(C)c(=O)c4[nH]ncc34)cc2OC(F)(F)F)CC1
InChIInChI=1S/C23H25F3N4O3/c1-13(2)14-6-8-30(9-7-14)21(31)16-5-4-15(10-19(16)33-23(24,25)26)18-12-29(3)22(32)20-17(18)11-27-28-20/h4-5,10-14H,6-9H2,1-3H3,(H,27,28)
InChIKeyYLZZGBZWEMFKNR-UHFFFAOYSA-N
MW462.47 g/mol
LogP4.34
Rot. Bonds4

About 6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one

6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one (PubChem CID 170020508) has the molecular formula C23H25F3N4O3 and a molecular weight of 462.47 g/mol. Its IUPAC name is 6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one
PubChem CID170020508
Molecular FormulaC23H25F3N4O3
Molecular Weight462.47 g/mol
Exact Mass462.19
IUPAC Name6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one
SMILESCC(C)C1CCN(C(=O)c2ccc(-c3cn(C)c(=O)c4[nH]ncc34)cc2OC(F)(F)F)CC1
InChIInChI=1S/C23H25F3N4O3/c1-13(2)14-6-8-30(9-7-14)21(31)16-5-4-15(10-19(16)33-23(24,25)26)18-12-29(3)22(32)20-17(18)11-27-28-20/h4-5,10-14H,6-9H2,1-3H3,(H,27,28)
InChIKeyYLZZGBZWEMFKNR-UHFFFAOYSA-N
XLogP4.34
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one
CID 167379558
4-[4-[(2,6-dioxopiperidin-3-yl)methyl]phenyl]-N-methyl-N-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide
CID 165099234
4-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 134258787
7-fluoro-2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]isoquinolin-1-one
CID 167379625
[4-[1-(4-fluorophenyl)sulfonylethyl]piperidin-1-yl]-[4-methylsulfonyl-2-(trifluoromethoxy)phenyl]methanone
CID 25255985
4-[3-chloro-4-(8-fluoro-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxyphenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 163582409
4-[3,5-dimethoxy-4-[(propan-2-ylamino)methyl]phenyl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 167060406
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 110023701
2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde
CID 164719945
6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334620
3-[4-[1-[2-[[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 166730117
N-[1-[[2-chloro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methylpiperidine-1-carboxamide;4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-[1-[[2-fluoro-6-methoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-N-methylpiperidine-1-carboxamide;4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[1-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethyl]piperidin-4-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
CID 165060321

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one (CID 170020508) is 6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one is CC(C)C1CCN(C(=O)c2ccc(-c3cn(C)c(=O)c4[nH]ncc34)cc2OC(F)(F)F)CC1.
What is the InChIKey of 6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one?
The InChIKey is YLZZGBZWEMFKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O3/c1-13(2)14-6-8-30(9-7-14)21(31)16-5-4-15(10-19(16)33-23(24,25)26)18-12-29(3)22(32)20-17(18)11-27-28-20/h4-5,10-14H,6-9H2,1-3H3,(H,27,28).
What are the key properties of 6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one?
6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one has a molecular weight of 462.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-(4-propan-2-ylpiperidine-1-carbonyl)-3-(trifluoromethoxy)phenyl]-1H-pyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 170020508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).