7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one

C21H23N5O3 — CID 66958819

IUPAC7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC4(COC4)C3)c2c1=O
InChIInChI=1S/C21H23N5O3/c1-20(2,28)16-5-4-13(7-22-16)14-6-15-17(19(27)25(3)12-23-15)18(24-14)26-8-21(9-26)10-29-11-21/h4-7,12,28H,8-11H2,1-3H3
InChIKeyXZSWOYZRPVLMCO-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.45
Rot. Bonds3

About 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one

7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958819) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66958819
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC4(COC4)C3)c2c1=O
InChIInChI=1S/C21H23N5O3/c1-20(2,28)16-5-4-13(7-22-16)14-6-15-17(19(27)25(3)12-23-15)18(24-14)26-8-21(9-26)10-29-11-21/h4-7,12,28H,8-11H2,1-3H3
InChIKeyXZSWOYZRPVLMCO-UHFFFAOYSA-N
XLogP1.45
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one (CID 66958819) is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC4(COC4)C3)c2c1=O.
What is the InChIKey of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XZSWOYZRPVLMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-20(2,28)16-5-4-13(7-22-16)14-6-15-17(19(27)25(3)12-23-15)18(24-14)26-8-21(9-26)10-29-11-21/h4-7,12,28H,8-11H2,1-3H3.
What are the key properties of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one?
7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 393.45 g/mol, XLogP of 1.45, 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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).