7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one

C19H22N4O3 — CID 66959583

IUPAC7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Oc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H22N4O3/c1-11(2)26-17-16-14(21-10-23(5)18(16)24)8-13(22-17)12-6-7-15(20-9-12)19(3,4)25/h6-11,25H,1-5H3
InChIKeyBXNHQFKBOITDKH-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.41
Rot. Bonds4

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

7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959583) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one
PubChem CID66959583
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Oc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H22N4O3/c1-11(2)26-17-16-14(21-10-23(5)18(16)24)8-13(22-17)12-6-7-15(20-9-12)19(3,4)25/h6-11,25H,1-5H3
InChIKeyBXNHQFKBOITDKH-UHFFFAOYSA-N
XLogP2.41
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one (CID 66959583) is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one is CC(C)Oc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BXNHQFKBOITDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11(2)26-17-16-14(21-10-23(5)18(16)24)8-13(22-17)12-6-7-15(20-9-12)19(3,4)25/h6-11,25H,1-5H3.
What are the key properties of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one?
7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one has a molecular weight of 354.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).