4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one

C21H21FN6O2 — CID 154830958

IUPAC4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=C(c1cccc(-n2cccn2)c1)N1CCN(c2nc(C3CC3)c(F)c(=O)[nH]2)CC1
InChIInChI=1S/C21H21FN6O2/c22-17-18(14-5-6-14)24-21(25-19(17)29)27-11-9-26(10-12-27)20(30)15-3-1-4-16(13-15)28-8-2-7-23-28/h1-4,7-8,13-14H,5-6,9-12H2,(H,24,25,29)
InChIKeyOMTANNTXDPFLCO-UHFFFAOYSA-N
MW408.44 g/mol
LogP1.93
Rot. Bonds4

About 4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one

4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 154830958) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID154830958
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESO=C(c1cccc(-n2cccn2)c1)N1CCN(c2nc(C3CC3)c(F)c(=O)[nH]2)CC1
InChIInChI=1S/C21H21FN6O2/c22-17-18(14-5-6-14)24-21(25-19(17)29)27-11-9-26(10-12-27)20(30)15-3-1-4-16(13-15)28-8-2-7-23-28/h1-4,7-8,13-14H,5-6,9-12H2,(H,24,25,29)
InChIKeyOMTANNTXDPFLCO-UHFFFAOYSA-N
XLogP1.93
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-cyclopropyl-5-fluoro-2-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 154830778
(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524
1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 126768644
(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70745005
(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 139027277
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 124576728
(3-pyrazol-1-ylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337319
(3-pyrazol-1-ylphenyl)-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone
CID 126853262
(3-pyrazol-1-ylphenyl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 70764717
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122335890
4-cyclopropyl-5-fluoro-2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 154828770
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122338581

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 154830958) is 4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one is O=C(c1cccc(-n2cccn2)c1)N1CCN(c2nc(C3CC3)c(F)c(=O)[nH]2)CC1.
What is the InChIKey of 4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is OMTANNTXDPFLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c22-17-18(14-5-6-14)24-21(25-19(17)29)27-11-9-26(10-12-27)20(30)15-3-1-4-16(13-15)28-8-2-7-23-28/h1-4,7-8,13-14H,5-6,9-12H2,(H,24,25,29).
What are the key properties of 4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one?
4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 408.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-fluoro-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 154830958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).