4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one

C14H15F3N4O2 — CID 136595249

IUPAC4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1cnn2C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H15F3N4O2/c1-8-6-11(22)19-12-10(8)7-18-21(12)13(23)20-4-2-9(3-5-20)14(15,16)17/h6-7,9H,2-5H2,1H3,(H,19,22)
InChIKeyUWHOXUUBACCKOK-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.28
Rot. Bonds

About 4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one

4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136595249) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136595249
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1cnn2C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H15F3N4O2/c1-8-6-11(22)19-12-10(8)7-18-21(12)13(23)20-4-2-9(3-5-20)14(15,16)17/h6-7,9H,2-5H2,1H3,(H,19,22)
InChIKeyUWHOXUUBACCKOK-UHFFFAOYSA-N
XLogP2.28
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10118930, Example 103
CID 137018571
US10118930, Example 449
CID 137018714
1,7-Dihydro-4-methyl-1-(2-methylpropyl)-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135600423
1-(butan-2-yl)-4-methyl-1H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135600424
4-methyl-1-(propan-2-yl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
CID 135600421
1,7-Dihydro-4-methyl-1-(2-methylpropyl)-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135600423
1-cyclopentyl-4-methyl-1H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135600425
1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135584534
1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135903354
2-methyl-4-(trifluoromethyl)-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135646630
2-methyl-4-(trifluoromethyl)-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135646630
N-cyclopropyl-3-[(E)-3-(4,4-difluoropiperidin-1-yl)-2-methyl-3-oxoprop-1-enyl]-5-hydroxy-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156890525

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one (CID 136595249) is 4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)[nH]c2c1cnn2C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is UWHOXUUBACCKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-8-6-11(22)19-12-10(8)7-18-21(12)13(23)20-4-2-9(3-5-20)14(15,16)17/h6-7,9H,2-5H2,1H3,(H,19,22).
What are the key properties of 4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one?
4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 328.29 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136595249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).