7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one

C16H15F3N6O2 — CID 126739404

IUPAC7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESO=C(c1cnn(-c2cc3nccn3c(=O)[nH]2)c1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H15F3N6O2/c17-16(18,19)11-1-4-23(5-2-11)14(26)10-8-21-25(9-10)13-7-12-20-3-6-24(12)15(27)22-13/h3,6-9,11H,1-2,4-5H2,(H,22,27)
InChIKeyKFJDYDCTPBSYNX-UHFFFAOYSA-N
MW380.33 g/mol
LogP1.62
Rot. Bonds2

About 7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one

7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 126739404) has the molecular formula C16H15F3N6O2 and a molecular weight of 380.33 g/mol. Its IUPAC name is 7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID126739404
Molecular FormulaC16H15F3N6O2
Molecular Weight380.33 g/mol
Exact Mass380.12
IUPAC Name7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESO=C(c1cnn(-c2cc3nccn3c(=O)[nH]2)c1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H15F3N6O2/c17-16(18,19)11-1-4-23(5-2-11)14(26)10-8-21-25(9-10)13-7-12-20-3-6-24(12)15(27)22-13/h3,6-9,11H,1-2,4-5H2,(H,22,27)
InChIKeyKFJDYDCTPBSYNX-UHFFFAOYSA-N
XLogP1.62
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one with MolForge

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Related Compounds

1-cyclopentyl-6-[(1R)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873900
US10118930, Example 84
CID 137251821
3-(1H-imidazol-2-yl)-1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]piperidine
CID 70713012
4-(1H-imidazol-2-yl)-1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]piperidine
CID 70737765
N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 97467594
[3-[(2-Methylimidazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110258822
1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine
CID 70783062
6-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-1-prop-2-enyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 164631058
1-(1-methyl-1H-pyrazole-4-carbonyl)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 128980249
N-pyrazin-2-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71526584
N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78098766
N-pyrazin-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 89527359

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one (CID 126739404) is 7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one is O=C(c1cnn(-c2cc3nccn3c(=O)[nH]2)c1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is KFJDYDCTPBSYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2/c17-16(18,19)11-1-4-23(5-2-11)14(26)10-8-21-25(9-10)13-7-12-20-3-6-24(12)15(27)22-13/h3,6-9,11H,1-2,4-5H2,(H,22,27).
What are the key properties of 7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one?
7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 380.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazol-1-yl]-6H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 126739404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).