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

C22H24N4O — CID 135943892

IUPAC2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESC=CCn1cc(CN2CCc3nc(C4CC4)[nH]c(=O)c3C2)c2ccccc21
InChIInChI=1S/C22H24N4O/c1-2-10-26-13-16(17-5-3-4-6-20(17)26)12-25-11-9-19-18(14-25)22(27)24-21(23-19)15-7-8-15/h2-6,13,15H,1,7-12,14H2,(H,23,24,27)
InChIKeyOWBNAUBZOLYBMS-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.35
Rot. Bonds5

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

2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943892) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135943892
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESC=CCn1cc(CN2CCc3nc(C4CC4)[nH]c(=O)c3C2)c2ccccc21
InChIInChI=1S/C22H24N4O/c1-2-10-26-13-16(17-5-3-4-6-20(17)26)12-25-11-9-19-18(14-25)22(27)24-21(23-19)15-7-8-15/h2-6,13,15H,1,7-12,14H2,(H,23,24,27)
InChIKeyOWBNAUBZOLYBMS-UHFFFAOYSA-N
XLogP3.35
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943881
2-cyclopropyl-6-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946552
2-cyclopropyl-6-[[2-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918219
2-cyclopropyl-6-[(1-methylbenzimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862304
6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861521
2-cyclopropyl-6-[(2,3-dimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916700
methyl 2-[3-[[2-(4-methylpiperidin-1-yl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]acetate
CID 135674544
2-cyclopropyl-6-[(4-methyl-2-phenylpyrimidin-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944112
2-cyclopropyl-6-(quinolin-3-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861287
6-[(2-aminopyrimidin-5-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944972
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-cyclohexyl-6-[(2-nitrophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918182

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943892) is 2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is C=CCn1cc(CN2CCc3nc(C4CC4)[nH]c(=O)c3C2)c2ccccc21.
What is the InChIKey of 2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OWBNAUBZOLYBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-10-26-13-16(17-5-3-4-6-20(17)26)12-25-11-9-19-18(14-25)22(27)24-21(23-19)15-7-8-15/h2-6,13,15H,1,7-12,14H2,(H,23,24,27).
What are the key properties of 2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 360.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(1-prop-2-enylindol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).