2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H24N4O — CID 135674563

IUPAC2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(Cc1cn(C(C)C)c3ccccc13)C2
InChIInChI=1S/C20H24N4O/c1-13(2)24-11-15(16-6-4-5-7-19(16)24)10-23-9-8-17-18(12-23)21-14(3)22-20(17)25/h4-7,11,13H,8-10,12H2,1-3H3,(H,21,22,25)
InChIKeyGMUVCLWBHBVPHH-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.17
Rot. Bonds3

About 2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135674563) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135674563
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(Cc1cn(C(C)C)c3ccccc13)C2
InChIInChI=1S/C20H24N4O/c1-13(2)24-11-15(16-6-4-5-7-19(16)24)10-23-9-8-17-18(12-23)21-14(3)22-20(17)25/h4-7,11,13H,8-10,12H2,1-3H3,(H,21,22,25)
InChIKeyGMUVCLWBHBVPHH-UHFFFAOYSA-N
XLogP3.17
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-propan-2-ylindol-3-yl)methyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135963376
2-methyl-7-[(2-methylsulfanylphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864862
2-methyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866363
2-methyl-7-[(2,3,4-trimethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135920309
7-[(3-bromo-1-benzothiophen-2-yl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866403
2-methyl-7-[(2-prop-2-enoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674541
2-methyl-7-(pyridin-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867243
6-[(2-ethynylphenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917747
7-[(2-chloro-6-methylphenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864323
7-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865381
7-[(7-methyl-1H-indol-3-yl)methyl]-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866884
6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135674563) is 2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CCN(Cc1cn(C(C)C)c3ccccc13)C2.
What is the InChIKey of 2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is GMUVCLWBHBVPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13(2)24-11-15(16-6-4-5-7-19(16)24)10-23-9-8-17-18(12-23)21-14(3)22-20(17)25/h4-7,11,13H,8-10,12H2,1-3H3,(H,21,22,25).
What are the key properties of 2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 336.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(1-propan-2-ylindol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135674563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).