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

C20H19N7O2 — CID 66959908

IUPAC7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(Nc3cnccn3)c2c1=O
InChIInChI=1S/C20H19N7O2/c1-20(2,29)15-5-4-12(9-23-15)13-8-14-17(19(28)27(3)11-24-14)18(25-13)26-16-10-21-6-7-22-16/h4-11,29H,1-3H3,(H,22,25,26)
InChIKeyPLGNAVAUDDUFFB-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.15
Rot. Bonds4

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

7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959908) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959908
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(Nc3cnccn3)c2c1=O
InChIInChI=1S/C20H19N7O2/c1-20(2,29)15-5-4-12(9-23-15)13-8-14-17(19(28)27(3)11-24-14)18(25-13)26-16-10-21-6-7-22-16/h4-11,29H,1-3H3,(H,22,25,26)
InChIKeyPLGNAVAUDDUFFB-UHFFFAOYSA-N
XLogP2.15
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959908) is 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(Nc3cnccn3)c2c1=O.
What is the InChIKey of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is PLGNAVAUDDUFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-20(2,29)15-5-4-12(9-23-15)13-8-14-17(19(28)27(3)11-24-14)18(25-13)26-16-10-21-6-7-22-16/h4-11,29H,1-3H3,(H,22,25,26).
What are the key properties of 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 389.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(pyrazin-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).