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

C25H29FN6O — CID 92622098

IUPAC[(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CCCN2Cc1cccc(F)c1
InChIInChI=1S/C25H29FN6O/c1-17-21-9-6-11-31(15-18-7-5-8-20(26)13-18)24(21)29-23(28-17)22-10-3-4-12-32(22)25(33)19-14-27-30(2)16-19/h5,7-8,13-14,16,22H,3-4,6,9-12,15H2,1-2H3/t22-/m1/s1
InChIKeyLEXYKWAUJWSAKP-JOCHJYFZSA-N
MW448.55 g/mol
LogP3.98
Rot. Bonds4

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

[(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 92622098) has the molecular formula C25H29FN6O and a molecular weight of 448.55 g/mol. Its IUPAC name is [(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID92622098
Molecular FormulaC25H29FN6O
Molecular Weight448.55 g/mol
Exact Mass448.24
IUPAC Name[(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CCCN2Cc1cccc(F)c1
InChIInChI=1S/C25H29FN6O/c1-17-21-9-6-11-31(15-18-7-5-8-20(26)13-18)24(21)29-23(28-17)22-10-3-4-12-32(22)25(33)19-14-27-30(2)16-19/h5,7-8,13-14,16,22H,3-4,6,9-12,15H2,1-2H3/t22-/m1/s1
InChIKeyLEXYKWAUJWSAKP-JOCHJYFZSA-N
XLogP3.98
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110268597
1-[2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 110263218
(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
[(2S)-2-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92622599
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
[(2R)-2-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 92636318
4-methyl-2-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630368
[(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
7-[(3-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-propanoylpiperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95831960
8-[(3-fluorophenyl)methyl]-2-[(2S)-1-(2-methoxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630503
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639724
8-[(3-fluorophenyl)methyl]-4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630515

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 92622098) is [(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CCCN2Cc1cccc(F)c1.
What is the InChIKey of [(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is LEXYKWAUJWSAKP-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29FN6O/c1-17-21-9-6-11-31(15-18-7-5-8-20(26)13-18)24(21)29-23(28-17)22-10-3-4-12-32(22)25(33)19-14-27-30(2)16-19/h5,7-8,13-14,16,22H,3-4,6,9-12,15H2,1-2H3/t22-/m1/s1.
What are the key properties of [(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 448.55 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[8-[(3-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 92622098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).