1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione

C20H19N5O3 — CID 66959100

IUPAC1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione
SMILESCC(C)Nc1nc(-c2ccc3c(c2)C(=O)C(=O)N3C)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H19N5O3/c1-10(2)22-18-16-14(21-9-24(3)19(16)27)8-13(23-18)11-5-6-15-12(7-11)17(26)20(28)25(15)4/h5-10H,1-4H3,(H,22,23)
InChIKeyLGFKUAYDLVMCBG-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.97
Rot. Bonds3

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

1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione (PubChem CID 66959100) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione.

Molecular Properties

Compound Name1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione
PubChem CID66959100
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione
SMILESCC(C)Nc1nc(-c2ccc3c(c2)C(=O)C(=O)N3C)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H19N5O3/c1-10(2)22-18-16-14(21-9-24(3)19(16)27)8-13(23-18)11-5-6-15-12(7-11)17(26)20(28)25(15)4/h5-10H,1-4H3,(H,22,23)
InChIKeyLGFKUAYDLVMCBG-UHFFFAOYSA-N
XLogP1.97
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione?
The IUPAC name of 1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione (CID 66959100) is 1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione.
What is the SMILES notation for 1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione?
The canonical SMILES for 1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione is CC(C)Nc1nc(-c2ccc3c(c2)C(=O)C(=O)N3C)cc2ncn(C)c(=O)c12.
What is the InChIKey of 1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione?
The InChIKey is LGFKUAYDLVMCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-10(2)22-18-16-14(21-9-24(3)19(16)27)8-13(23-18)11-5-6-15-12(7-11)17(26)20(28)25(15)4/h5-10H,1-4H3,(H,22,23).
What are the key properties of 1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione?
1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione has a molecular weight of 377.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]indole-2,3-dione is sourced from PubChem (CID 66959100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).