[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C24H27FN6O — CID 92623082

IUPAC[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1nc(C2CCN(C(=O)c3ccn[nH]3)CC2)nc2c1CCCN2Cc1ccc(F)cc1
InChIInChI=1S/C24H27FN6O/c1-16-20-3-2-12-31(15-17-4-6-19(25)7-5-17)23(20)28-22(27-16)18-9-13-30(14-10-18)24(32)21-8-11-26-29-21/h4-8,11,18H,2-3,9-10,12-15H2,1H3,(H,26,29)
InChIKeyKLAQFXQIEWIILT-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.62
Rot. Bonds4

About [4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 92623082) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is [4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID92623082
Molecular FormulaC24H27FN6O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC Name[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1nc(C2CCN(C(=O)c3ccn[nH]3)CC2)nc2c1CCCN2Cc1ccc(F)cc1
InChIInChI=1S/C24H27FN6O/c1-16-20-3-2-12-31(15-17-4-6-19(25)7-5-17)23(20)28-22(27-16)18-9-13-30(14-10-18)24(32)21-8-11-26-29-21/h4-8,11,18H,2-3,9-10,12-15H2,1H3,(H,26,29)
InChIKeyKLAQFXQIEWIILT-UHFFFAOYSA-N
XLogP3.62
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone with MolForge

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Related Compounds

1-[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 95833798
1-[(3R)-3-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92622415
1-[(3S)-3-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 92622457
[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110268686
4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92621325
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-pyrrolidin-2-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
CID 124967932
8-(cyclohexylmethyl)-4-methyl-2-[(3S)-1-(1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124978079
[(2S)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 95833764
(1,3-dimethylpyrazol-4-yl)-[(2R)-2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95833014
2-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110263230
3-methoxy-1-[(3R)-3-[8-[(4-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92622431
1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-methoxypropan-1-one
CID 110263450

Frequently Asked Questions

What is the IUPAC name of [4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 92623082) is [4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is Cc1nc(C2CCN(C(=O)c3ccn[nH]3)CC2)nc2c1CCCN2Cc1ccc(F)cc1.
What is the InChIKey of [4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is KLAQFXQIEWIILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-16-20-3-2-12-31(15-17-4-6-19(25)7-5-17)23(20)28-22(27-16)18-9-13-30(14-10-18)24(32)21-8-11-26-29-21/h4-8,11,18H,2-3,9-10,12-15H2,1H3,(H,26,29).
What are the key properties of [4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 434.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 92623082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).