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

C19H24N4O3 — CID 136797166

IUPAC6-(cyclopropanecarbonyl)-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCc2nc(C3CCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1
InChIInChI=1S/C19H24N4O3/c24-17-14-10-23(19(26)12-3-4-12)8-6-15(14)20-16(21-17)13-5-7-22(9-13)18(25)11-1-2-11/h11-13H,1-10H2,(H,20,21,24)
InChIKeyBQVWNDVVXSIQHC-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.79
Rot. Bonds3

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

6-(cyclopropanecarbonyl)-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136797166) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-(cyclopropanecarbonyl)-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(cyclopropanecarbonyl)-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136797166
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name6-(cyclopropanecarbonyl)-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCc2nc(C3CCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1
InChIInChI=1S/C19H24N4O3/c24-17-14-10-23(19(26)12-3-4-12)8-6-15(14)20-16(21-17)13-5-7-22(9-13)18(25)11-1-2-11/h11-13H,1-10H2,(H,20,21,24)
InChIKeyBQVWNDVVXSIQHC-UHFFFAOYSA-N
XLogP0.79
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonyl)-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(cyclopropanecarbonyl)-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136797166) is 6-(cyclopropanecarbonyl)-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(cyclopropanecarbonyl)-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(cyclopropanecarbonyl)-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(C1CC1)N1CCc2nc(C3CCN(C(=O)C4CC4)C3)[nH]c(=O)c2C1.
What is the InChIKey of 6-(cyclopropanecarbonyl)-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BQVWNDVVXSIQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-17-14-10-23(19(26)12-3-4-12)8-6-15(14)20-16(21-17)13-5-7-22(9-13)18(25)11-1-2-11/h11-13H,1-10H2,(H,20,21,24).
What are the key properties of 6-(cyclopropanecarbonyl)-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(cyclopropanecarbonyl)-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 356.43 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonyl)-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136797166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).