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

C20H22N4O — CID 135866217

IUPAC2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCn1c(CN2CCc3c(nc(C4CC4)[nH]c3=O)C2)cc2ccccc21
InChIInChI=1S/C20H22N4O/c1-23-15(10-14-4-2-3-5-18(14)23)11-24-9-8-16-17(12-24)21-19(13-6-7-13)22-20(16)25/h2-5,10,13H,6-9,11-12H2,1H3,(H,21,22,25)
InChIKeyKUHCKQHGOKIBPQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.70
Rot. Bonds3

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

2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135866217) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135866217
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCn1c(CN2CCc3c(nc(C4CC4)[nH]c3=O)C2)cc2ccccc21
InChIInChI=1S/C20H22N4O/c1-23-15(10-14-4-2-3-5-18(14)23)11-24-9-8-16-17(12-24)21-19(13-6-7-13)22-20(16)25/h2-5,10,13H,6-9,11-12H2,1H3,(H,21,22,25)
InChIKeyKUHCKQHGOKIBPQ-UHFFFAOYSA-N
XLogP2.70
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-cyclopropyl-6-[(1-methylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862304
2-cyclohexyl-7-[(2-hydroxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865980
2-cyclopropyl-7-[(3,4-dichlorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864976
2-cyclopropyl-7-[[2-(trifluoromethyl)phenyl]methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864916
7-[(2-chloro-4-fluorophenyl)methyl]-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864217
2-cyclopropyl-6-[(2-methylpyrazol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944852
2-cyclohexyl-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867260
2-cyclohexyl-7-[(4-methoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865920
2-cyclopropyl-7-[(2,5-diethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863817
2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865019
2-cyclohexyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930610
7-benzyl-2-(1-butanoylpiperidin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136730806

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135866217) is 2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cn1c(CN2CCc3c(nc(C4CC4)[nH]c3=O)C2)cc2ccccc21.
What is the InChIKey of 2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is KUHCKQHGOKIBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23-15(10-14-4-2-3-5-18(14)23)11-24-9-8-16-17(12-24)21-19(13-6-7-13)22-20(16)25/h2-5,10,13H,6-9,11-12H2,1H3,(H,21,22,25).
What are the key properties of 2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 334.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-[(1-methylindol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135866217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).