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

C20H27N9O2 — CID 92591024

IUPAC2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCN(CC)c1ncc2c(=O)[nH]c(C3CCN(C(=O)CCn4cnnn4)CC3)cc2n1
InChIInChI=1S/C20H27N9O2/c1-3-27(4-2)20-21-12-15-17(24-20)11-16(23-19(15)31)14-5-8-28(9-6-14)18(30)7-10-29-13-22-25-26-29/h11-14H,3-10H2,1-2H3,(H,23,31)
InChIKeyQJAKZIPKRWIXNA-UHFFFAOYSA-N
MW425.50 g/mol
LogP0.95
Rot. Bonds7

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

2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 92591024) has the molecular formula C20H27N9O2 and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID92591024
Molecular FormulaC20H27N9O2
Molecular Weight425.50 g/mol
Exact Mass425.23
IUPAC Name2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCCN(CC)c1ncc2c(=O)[nH]c(C3CCN(C(=O)CCn4cnnn4)CC3)cc2n1
InChIInChI=1S/C20H27N9O2/c1-3-27(4-2)20-21-12-15-17(24-20)11-16(23-19(15)31)14-5-8-28(9-6-14)18(30)7-10-29-13-22-25-26-29/h11-14H,3-10H2,1-2H3,(H,23,31)
InChIKeyQJAKZIPKRWIXNA-UHFFFAOYSA-N
XLogP0.95
TPSA125.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one (CID 92591024) is 2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one is CCN(CC)c1ncc2c(=O)[nH]c(C3CCN(C(=O)CCn4cnnn4)CC3)cc2n1.
What is the InChIKey of 2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is QJAKZIPKRWIXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N9O2/c1-3-27(4-2)20-21-12-15-17(24-20)11-16(23-19(15)31)14-5-8-28(9-6-14)18(30)7-10-29-13-22-25-26-29/h11-14H,3-10H2,1-2H3,(H,23,31).
What are the key properties of 2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one?
2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 425.50 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-7-[1-[3-(tetrazol-1-yl)propanoyl]piperidin-4-yl]-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 92591024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).