6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C18H20N6O2 — CID 74239390

IUPAC6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NCc3cc4n(n3)CCCNC4)c(=O)n12
InChIInChI=1S/C18H20N6O2/c1-12-4-2-5-16-20-11-15(18(26)24(12)16)17(25)21-9-13-8-14-10-19-6-3-7-23(14)22-13/h2,4-5,8,11,19H,3,6-7,9-10H2,1H3,(H,21,25)
InChIKeyHTHPPUGWTKODEL-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.62
Rot. Bonds3

About 6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 74239390) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID74239390
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NCc3cc4n(n3)CCCNC4)c(=O)n12
InChIInChI=1S/C18H20N6O2/c1-12-4-2-5-16-20-11-15(18(26)24(12)16)17(25)21-9-13-8-14-10-19-6-3-7-23(14)22-13/h2,4-5,8,11,19H,3,6-7,9-10H2,1H3,(H,21,25)
InChIKeyHTHPPUGWTKODEL-UHFFFAOYSA-N
XLogP0.62
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 74239390) is 6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)NCc3cc4n(n3)CCCNC4)c(=O)n12.
What is the InChIKey of 6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HTHPPUGWTKODEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-12-4-2-5-16-20-11-15(18(26)24(12)16)17(25)21-9-13-8-14-10-19-6-3-7-23(14)22-13/h2,4-5,8,11,19H,3,6-7,9-10H2,1H3,(H,21,25).
What are the key properties of 6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 74239390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).