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

C21H23N5O2 — CID 66959425

IUPAC7-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(=O)N1CCc2cc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)ccc21
InChIInChI=1S/C21H23N5O2/c1-12(2)23-20-19-17(22-11-25(4)21(19)28)10-16(24-20)14-5-6-18-15(9-14)7-8-26(18)13(3)27/h5-6,9-12H,7-8H2,1-4H3,(H,23,24)
InChIKeySFNAUVBIEBNHAO-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.72
Rot. Bonds3

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

7-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959425) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 7-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959425
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name7-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(=O)N1CCc2cc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)ccc21
InChIInChI=1S/C21H23N5O2/c1-12(2)23-20-19-17(22-11-25(4)21(19)28)10-16(24-20)14-5-6-18-15(9-14)7-8-26(18)13(3)27/h5-6,9-12H,7-8H2,1-4H3,(H,23,24)
InChIKeySFNAUVBIEBNHAO-UHFFFAOYSA-N
XLogP2.72
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959425) is 7-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CC(=O)N1CCc2cc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)ccc21.
What is the InChIKey of 7-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is SFNAUVBIEBNHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-12(2)23-20-19-17(22-11-25(4)21(19)28)10-16(24-20)14-5-6-18-15(9-14)7-8-26(18)13(3)27/h5-6,9-12H,7-8H2,1-4H3,(H,23,24).
What are the key properties of 7-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 377.45 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).