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

C25H32N4O — CID 92636309

IUPAC1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone
SMILESCc1nc(C2CCN(C(=O)Cc3ccccc3)CC2)nc2c1CCCN2CC1CC1
InChIInChI=1S/C25H32N4O/c1-18-22-8-5-13-29(17-20-9-10-20)25(22)27-24(26-18)21-11-14-28(15-12-21)23(30)16-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-17H2,1H3
InChIKeyQBWFBYMKSYMAJZ-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.90
Rot. Bonds5

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

1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone (PubChem CID 92636309) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone
PubChem CID92636309
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone
SMILESCc1nc(C2CCN(C(=O)Cc3ccccc3)CC2)nc2c1CCCN2CC1CC1
InChIInChI=1S/C25H32N4O/c1-18-22-8-5-13-29(17-20-9-10-20)25(22)27-24(26-18)21-11-14-28(15-12-21)23(30)16-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-17H2,1H3
InChIKeyQBWFBYMKSYMAJZ-UHFFFAOYSA-N
XLogP3.90
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,8-dimethyl-2-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618825
8-(cyclopropylmethyl)-4-methyl-2-[1-(2-phenoxyacetyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629641
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629649
N-[4-[3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]acetamide
CID 110268690
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
2-methoxy-1-[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110263441
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
[(3S)-3-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 92622687
1-[3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
CID 110263412
8-(cyclopropylmethyl)-2-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831238
N-[2-[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110263424
[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110268592

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone (CID 92636309) is 1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone is Cc1nc(C2CCN(C(=O)Cc3ccccc3)CC2)nc2c1CCCN2CC1CC1.
What is the InChIKey of 1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is QBWFBYMKSYMAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-18-22-8-5-13-29(17-20-9-10-20)25(22)27-24(26-18)21-11-14-28(15-12-21)23(30)16-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-17H2,1H3.
What are the key properties of 1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone?
1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 404.56 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 92636309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).