1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

C26H36N6O — CID 95832998

IUPAC1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCc1nc([C@@H]2CCCN2CC(=O)N2CCC(C)CC2)nc2c1CCCN2Cc1ccccn1
InChIInChI=1S/C26H36N6O/c1-19-10-15-30(16-11-19)24(33)18-31-13-6-9-23(31)25-28-20(2)22-8-5-14-32(26(22)29-25)17-21-7-3-4-12-27-21/h3-4,7,12,19,23H,5-6,8-11,13-18H2,1-2H3/t23-/m0/s1
InChIKeyBQAHRZFVMPQERB-QHCPKHFHSA-N
MW448.62 g/mol
LogP3.53
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95832998) has the molecular formula C26H36N6O and a molecular weight of 448.62 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID95832998
Molecular FormulaC26H36N6O
Molecular Weight448.62 g/mol
Exact Mass448.30
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCc1nc([C@@H]2CCCN2CC(=O)N2CCC(C)CC2)nc2c1CCCN2Cc1ccccn1
InChIInChI=1S/C26H36N6O/c1-19-10-15-30(16-11-19)24(33)18-31-13-6-9-23(31)25-28-20(2)22-8-5-14-32(26(22)29-25)17-21-7-3-4-12-27-21/h3-4,7,12,19,23H,5-6,8-11,13-18H2,1-2H3/t23-/m0/s1
InChIKeyBQAHRZFVMPQERB-QHCPKHFHSA-N
XLogP3.53
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
CID 110263318
2-cyclopentyl-1-[(2R)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95833071
1-[2-[3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110263373
2-methoxy-1-[2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110263207
(4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 92621672
(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
8-benzyl-4-methyl-2-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629769
2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618628
[(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-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110263455
2-methoxy-1-[(3S)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92622452
cyclobutyl-[(3S)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92622846

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 95832998) is 1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is Cc1nc([C@@H]2CCCN2CC(=O)N2CCC(C)CC2)nc2c1CCCN2Cc1ccccn1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is BQAHRZFVMPQERB-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H36N6O/c1-19-10-15-30(16-11-19)24(33)18-31-13-6-9-23(31)25-28-20(2)22-8-5-14-32(26(22)29-25)17-21-7-3-4-12-27-21/h3-4,7,12,19,23H,5-6,8-11,13-18H2,1-2H3/t23-/m0/s1.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 448.62 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[(2S)-2-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95832998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).