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

C26H32N6O — CID 92622699

IUPAC[(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3C)C2)nc2c1CCCN2Cc1ccccc1
InChIInChI=1S/C26H32N6O/c1-18-22-12-8-13-31(16-20-9-5-4-6-10-20)25(22)29-24(28-18)21-11-7-14-32(17-21)26(33)23-15-27-30(3)19(23)2/h4-6,9-10,15,21H,7-8,11-14,16-17H2,1-3H3/t21-/m0/s1
InChIKeyVAEUGVABLLKSTE-NRFANRHFSA-N
MW444.58 g/mol
LogP3.80
Rot. Bonds4

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

[(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone (PubChem CID 92622699) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is [(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
PubChem CID92622699
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name[(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3C)C2)nc2c1CCCN2Cc1ccccc1
InChIInChI=1S/C26H32N6O/c1-18-22-12-8-13-31(16-20-9-5-4-6-10-20)25(22)29-24(28-18)21-11-7-14-32(17-21)26(33)23-15-27-30(3)19(23)2/h4-6,9-10,15,21H,7-8,11-14,16-17H2,1-3H3/t21-/m0/s1
InChIKeyVAEUGVABLLKSTE-NRFANRHFSA-N
XLogP3.80
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110263466
[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
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
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
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
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
8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
CID 92622054
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-[(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
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92636192
1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110263503

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone (CID 92622699) is [(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone is Cc1nc([C@H]2CCCN(C(=O)c3cnn(C)c3C)C2)nc2c1CCCN2Cc1ccccc1.
What is the InChIKey of [(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is VAEUGVABLLKSTE-NRFANRHFSA-N. The full InChI is InChI=1S/C26H32N6O/c1-18-22-12-8-13-31(16-20-9-5-4-6-10-20)25(22)29-24(28-18)21-11-7-14-32(17-21)26(33)23-15-27-30(3)19(23)2/h4-6,9-10,15,21H,7-8,11-14,16-17H2,1-3H3/t21-/m0/s1.
What are the key properties of [(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
[(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 444.58 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(8-benzyl-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 92622699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).