2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C26H35N5O2 — CID 136796438

IUPAC2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(CCC1CCCC1)N1CCCCC1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2
InChIInChI=1S/C26H35N5O2/c32-24(11-10-19-6-1-2-7-19)31-14-4-3-9-23(31)25-28-22-12-15-30(18-21(22)26(33)29-25)17-20-8-5-13-27-16-20/h5,8,13,16,19,23H,1-4,6-7,9-12,14-15,17-18H2,(H,28,29,33)
InChIKeyFFHIDRVGQJAIIZ-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.75
Rot. Bonds6

About 2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796438) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136796438
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(CCC1CCCC1)N1CCCCC1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2
InChIInChI=1S/C26H35N5O2/c32-24(11-10-19-6-1-2-7-19)31-14-4-3-9-23(31)25-28-22-12-15-30(18-21(22)26(33)29-25)17-20-8-5-13-27-16-20/h5,8,13,16,19,23H,1-4,6-7,9-12,14-15,17-18H2,(H,28,29,33)
InChIKeyFFHIDRVGQJAIIZ-UHFFFAOYSA-N
XLogP3.75
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681552
2-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681545
2-[1-(3-cyclopentylpropanoyl)pyrrolidin-3-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136797218
2-[(2S)-1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681884
2-[(2R)-1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136763339
2-[1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795894
2-[(2R)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681560
6-(pyridin-3-ylmethyl)-2-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681562
2-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774717
6-(2-cyclopentylacetyl)-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796377
2-[(2R)-1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891180
2-[1-(2-cyclohexylacetyl)piperidin-2-yl]-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796709

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796438) is 2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(CCC1CCCC1)N1CCCCC1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2.
What is the InChIKey of 2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FFHIDRVGQJAIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c32-24(11-10-19-6-1-2-7-19)31-14-4-3-9-23(31)25-28-22-12-15-30(18-21(22)26(33)29-25)17-20-8-5-13-27-16-20/h5,8,13,16,19,23H,1-4,6-7,9-12,14-15,17-18H2,(H,28,29,33).
What are the key properties of 2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 449.60 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(pyridin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).