7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C20H23N5O3 — CID 66959695

IUPAC7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC[C@@H](O)C3)c2c1=O
InChIInChI=1S/C20H23N5O3/c1-20(2,28)16-5-4-12(9-21-16)14-8-15-17(19(27)24(3)11-22-15)18(23-14)25-7-6-13(26)10-25/h4-5,8-9,11,13,26,28H,6-7,10H2,1-3H3/t13-/m1/s1
InChIKeyVLWSNOCWWWGQNF-CYBMUJFWSA-N
MW381.44 g/mol
LogP1.19
Rot. Bonds3

About 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one

7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959695) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959695
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC[C@@H](O)C3)c2c1=O
InChIInChI=1S/C20H23N5O3/c1-20(2,28)16-5-4-12(9-21-16)14-8-15-17(19(27)24(3)11-22-15)18(23-14)25-7-6-13(26)10-25/h4-5,8-9,11,13,26,28H,6-7,10H2,1-3H3/t13-/m1/s1
InChIKeyVLWSNOCWWWGQNF-CYBMUJFWSA-N
XLogP1.19
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
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]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959695) is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC[C@@H](O)C3)c2c1=O.
What is the InChIKey of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VLWSNOCWWWGQNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-20(2,28)16-5-4-12(9-21-16)14-8-15-17(19(27)24(3)11-22-15)18(23-14)25-7-6-13(26)10-25/h4-5,8-9,11,13,26,28H,6-7,10H2,1-3H3/t13-/m1/s1.
What are the key properties of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 381.44 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 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]-5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).