[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone

C23H23FN6O — CID 135844019

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccnc2)n2nccc2N1
InChIInChI=1S/C23H23FN6O/c1-16-21(22(17-3-2-9-25-15-17)30-20(27-16)8-10-26-30)23(31)29-13-11-28(12-14-29)19-6-4-18(24)5-7-19/h2-10,15,22,27H,11-14H2,1H3
InChIKeyROJMSCNIEYHHSB-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.05
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 135844019) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID135844019
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccnc2)n2nccc2N1
InChIInChI=1S/C23H23FN6O/c1-16-21(22(17-3-2-9-25-15-17)30-20(27-16)8-10-26-30)23(31)29-13-11-28(12-14-29)19-6-4-18(24)5-7-19/h2-10,15,22,27H,11-14H2,1H3
InChIKeyROJMSCNIEYHHSB-UHFFFAOYSA-N
XLogP3.05
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-((6-(1H-pyrazol-3-ylamino)pyridin-2-yl)methyl)piperazin-1-yl)(2-fluoro-3-(trifluoromethyl)phenyl)methanone
CID 11705035
(11R,15S)-5-anilino-8-methyl-4-[(4-pyridin-2-ylphenyl)methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 11988837
(11R,15S)-5-anilino-4-[[4-(5-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 42639959
(11R,15S)-5-anilino-4-[[4-(3-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 42640117
(11R,15S)-5-anilino-4-[[4-(4-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 42640266
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720197
N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
2-[(3,4-Difluorophenyl)methyl]-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 155566604
N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
(5,11-Dihydro-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-[2-fluoro-4-(3-methyl-pyrazol-1-yl)-phenyl]-methanone
CID 9887157

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 135844019) is [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone is CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccnc2)n2nccc2N1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is ROJMSCNIEYHHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-16-21(22(17-3-2-9-25-15-17)30-20(27-16)8-10-26-30)23(31)29-13-11-28(12-14-29)19-6-4-18(24)5-7-19/h2-10,15,22,27H,11-14H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 418.48 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 135844019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).