2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one

C19H25N9O2 — CID 92565937

IUPAC2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nnnn1CCC(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1
InChIInChI=1S/C19H25N9O2/c1-12-23-24-25-28(12)9-6-17(29)27-7-4-13(5-8-27)15-10-16-14(18(30)21-15)11-20-19(22-16)26(2)3/h10-11,13H,4-9H2,1-3H3,(H,21,30)
InChIKeyKKUXCYSEWFKQTO-UHFFFAOYSA-N
MW411.47 g/mol
LogP0.48
Rot. Bonds5

About 2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one

2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 92565937) has the molecular formula C19H25N9O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID92565937
Molecular FormulaC19H25N9O2
Molecular Weight411.47 g/mol
Exact Mass411.21
IUPAC Name2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nnnn1CCC(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1
InChIInChI=1S/C19H25N9O2/c1-12-23-24-25-28(12)9-6-17(29)27-7-4-13(5-8-27)15-10-16-14(18(30)21-15)11-20-19(22-16)26(2)3/h10-11,13H,4-9H2,1-3H3,(H,21,30)
InChIKeyKKUXCYSEWFKQTO-UHFFFAOYSA-N
XLogP0.48
TPSA125.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one (CID 92565937) is 2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one is Cc1nnnn1CCC(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is KKUXCYSEWFKQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9O2/c1-12-23-24-25-28(12)9-6-17(29)27-7-4-13(5-8-27)15-10-16-14(18(30)21-15)11-20-19(22-16)26(2)3/h10-11,13H,4-9H2,1-3H3,(H,21,30).
What are the key properties of 2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 411.47 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-7-[1-[3-(5-methyltetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 92565937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).