3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one

C20H23N7O — CID 126919909

IUPAC3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one
SMILESCN(c1nc2cnccc2c(=O)n1C)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C20H23N7O/c1-25(20-22-17-10-21-8-7-15(17)19(28)26(20)2)14-11-27(12-14)18-9-13-5-3-4-6-16(13)23-24-18/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyOGTVNQOPPWEOKW-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.32
Rot. Bonds3

About 3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one

3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 126919909) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one
PubChem CID126919909
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one
SMILESCN(c1nc2cnccc2c(=O)n1C)C1CN(c2cc3c(nn2)CCCC3)C1
InChIInChI=1S/C20H23N7O/c1-25(20-22-17-10-21-8-7-15(17)19(28)26(20)2)14-11-27(12-14)18-9-13-5-3-4-6-16(13)23-24-18/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyOGTVNQOPPWEOKW-UHFFFAOYSA-N
XLogP1.32
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one (CID 126919909) is 3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one is CN(c1nc2cnccc2c(=O)n1C)C1CN(c2cc3c(nn2)CCCC3)C1.
What is the InChIKey of 3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is OGTVNQOPPWEOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-25(20-22-17-10-21-8-7-15(17)19(28)26(20)2)14-11-27(12-14)18-9-13-5-3-4-6-16(13)23-24-18/h7-10,14H,3-6,11-12H2,1-2H3.
What are the key properties of 3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one?
3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 377.45 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126919909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).