7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one

C19H19N5O3 — CID 66958936

IUPAC7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC(=O)C3)c2c1=O
InChIInChI=1S/C19H19N5O3/c1-19(2,27)15-5-4-11(7-20-15)13-6-14-16(18(26)23(3)10-21-14)17(22-13)24-8-12(25)9-24/h4-7,10,27H,8-9H2,1-3H3
InChIKeyQDNFRKPGZMFMOM-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.01
Rot. Bonds3

About 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one

7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958936) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66958936
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC(=O)C3)c2c1=O
InChIInChI=1S/C19H19N5O3/c1-19(2,27)15-5-4-11(7-20-15)13-6-14-16(18(26)23(3)10-21-14)17(22-13)24-8-12(25)9-24/h4-7,10,27H,8-9H2,1-3H3
InChIKeyQDNFRKPGZMFMOM-UHFFFAOYSA-N
XLogP1.01
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one (CID 66958936) is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC(=O)C3)c2c1=O.
What is the InChIKey of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is QDNFRKPGZMFMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-19(2,27)15-5-4-11(7-20-15)13-6-14-16(18(26)23(3)10-21-14)17(22-13)24-8-12(25)9-24/h4-7,10,27H,8-9H2,1-3H3.
What are the key properties of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one?
7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 365.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(3-oxoazetidin-1-yl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).