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

C25H33N5O — CID 95833071

IUPAC2-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
SMILESCc1nc([C@H]2CCCN2C(=O)CC2CCCC2)nc2c1CCCN2Cc1ccccn1
InChIInChI=1S/C25H33N5O/c1-18-21-11-6-14-29(17-20-10-4-5-13-26-20)25(21)28-24(27-18)22-12-7-15-30(22)23(31)16-19-8-2-3-9-19/h4-5,10,13,19,22H,2-3,6-9,11-12,14-17H2,1H3/t22-/m1/s1
InChIKeyIZXBIRJBEBDSKZ-JOCHJYFZSA-N
MW419.57 g/mol
LogP4.38
Rot. Bonds5

About 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

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 (PubChem CID 95833071) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID95833071
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC Name2-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
SMILESCc1nc([C@H]2CCCN2C(=O)CC2CCCC2)nc2c1CCCN2Cc1ccccn1
InChIInChI=1S/C25H33N5O/c1-18-21-11-6-14-29(17-20-10-4-5-13-26-20)25(21)28-24(27-18)22-12-7-15-30(22)23(31)16-19-8-2-3-9-19/h4-5,10,13,19,22H,2-3,6-9,11-12,14-17H2,1H3/t22-/m1/s1
InChIKeyIZXBIRJBEBDSKZ-JOCHJYFZSA-N
XLogP4.38
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
4-methyl-2-[1-(2-methylpropyl)pyrrolidin-2-yl]-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
CID 110263318
8-benzyl-2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260819
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
[(2S)-2-[8-(cyclopropylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 92622534
2-[(2S)-1-(3-methoxypropanoyl)piperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629984
8-benzyl-4-methyl-2-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618772
[(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
4-methyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630067
4-methyl-2-[(2S)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630068
1-[(2R)-2-[8-[(2-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95833066

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc([C@H]2CCCN2C(=O)CC2CCCC2)nc2c1CCCN2Cc1ccccn1.
What is the InChIKey of 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?
The InChIKey is IZXBIRJBEBDSKZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H33N5O/c1-18-21-11-6-14-29(17-20-10-4-5-13-26-20)25(21)28-24(27-18)22-12-7-15-30(22)23(31)16-19-8-2-3-9-19/h4-5,10,13,19,22H,2-3,6-9,11-12,14-17H2,1H3/t22-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 419.57 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 95833071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).