6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H18N4O — CID 135944379

IUPAC6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C17H18N4O/c1-11-18-16-6-7-21(10-14(16)17(22)19-11)9-13-8-12-4-2-3-5-15(12)20-13/h2-5,8,20H,6-7,9-10H2,1H3,(H,18,19,22)
InChIKeyBETWDRCBHRQQPI-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.12
Rot. Bonds2

About 6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944379) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135944379
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C17H18N4O/c1-11-18-16-6-7-21(10-14(16)17(22)19-11)9-13-8-12-4-2-3-5-15(12)20-13/h2-5,8,20H,6-7,9-10H2,1H3,(H,18,19,22)
InChIKeyBETWDRCBHRQQPI-UHFFFAOYSA-N
XLogP2.12
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-(1H-indol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944381
2-methyl-6-(quinolin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861911
6-[(2-ethynylphenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917747
6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912897
6-[(2,5-dimethylphenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917207
6-[(3,4-dichlorophenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135674510
6-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862091
6-[[2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942401
2-methyl-6-[(3,4,5-trifluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918226
2-methyl-6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947512
2-methyl-6-(1,8-naphthyridin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946139
6-[(2-amino-4-oxochromen-3-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862671

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944379) is 6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1cc3ccccc3[nH]1)CC2.
What is the InChIKey of 6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BETWDRCBHRQQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-18-16-6-7-21(10-14(16)17(22)19-11)9-13-8-12-4-2-3-5-15(12)20-13/h2-5,8,20H,6-7,9-10H2,1H3,(H,18,19,22).
What are the key properties of 6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 294.36 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).