7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H28N4O2 — CID 136796946

IUPAC7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1
InChIInChI=1S/C20H28N4O2/c25-19-16-8-10-23(15-3-1-2-4-15)12-17(16)21-18(22-19)14-7-9-24(11-14)20(26)13-5-6-13/h13-15H,1-12H2,(H,21,22,25)
InChIKeyOUEBUKKDCJYCJK-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.80
Rot. Bonds3

About 7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136796946) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136796946
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1
InChIInChI=1S/C20H28N4O2/c25-19-16-8-10-23(15-3-1-2-4-15)12-17(16)21-18(22-19)14-7-9-24(11-14)20(26)13-5-6-13/h13-15H,1-12H2,(H,21,22,25)
InChIKeyOUEBUKKDCJYCJK-UHFFFAOYSA-N
XLogP1.80
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136796946) is 7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(C1CC1)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1.
What is the InChIKey of 7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is OUEBUKKDCJYCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-19-16-8-10-23(15-3-1-2-4-15)12-17(16)21-18(22-19)14-7-9-24(11-14)20(26)13-5-6-13/h13-15H,1-12H2,(H,21,22,25).
What are the key properties of 7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 356.47 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136796946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).