3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C20H23N5O — CID 66958938

IUPAC3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc3c(c2)CCN3C)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H23N5O/c1-12(2)22-19-18-16(21-11-25(4)20(18)26)10-15(23-19)13-5-6-17-14(9-13)7-8-24(17)3/h5-6,9-12H,7-8H2,1-4H3,(H,22,23)
InChIKeyMPODPBFJZUSYIY-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.81
Rot. Bonds3

About 3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958938) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66958938
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc3c(c2)CCN3C)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H23N5O/c1-12(2)22-19-18-16(21-11-25(4)20(18)26)10-15(23-19)13-5-6-17-14(9-13)7-8-24(17)3/h5-6,9-12H,7-8H2,1-4H3,(H,22,23)
InChIKeyMPODPBFJZUSYIY-UHFFFAOYSA-N
XLogP2.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66958938) is 3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CC(C)Nc1nc(-c2ccc3c(c2)CCN3C)cc2ncn(C)c(=O)c12.
What is the InChIKey of 3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MPODPBFJZUSYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12(2)22-19-18-16(21-11-25(4)20(18)26)10-15(23-19)13-5-6-17-14(9-13)7-8-24(17)3/h5-6,9-12H,7-8H2,1-4H3,(H,22,23).
What are the key properties of 3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 349.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(1-methyl-2,3-dihydroindol-5-yl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).