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

C27H24N6O2 — CID 135862363

IUPAC6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cncnc2)nc2c1CN(Cc1c[nH]c3cccc(OCc4ccccc4)c13)CC2
InChIInChI=1S/C27H24N6O2/c34-27-21-15-33(10-9-22(21)31-26(32-27)19-11-28-17-29-12-19)14-20-13-30-23-7-4-8-24(25(20)23)35-16-18-5-2-1-3-6-18/h1-8,11-13,17,30H,9-10,14-16H2,(H,31,32,34)
InChIKeySJCKHBCIFOHGDJ-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.85
Rot. Bonds6

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

6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862363) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135862363
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Name6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cncnc2)nc2c1CN(Cc1c[nH]c3cccc(OCc4ccccc4)c13)CC2
InChIInChI=1S/C27H24N6O2/c34-27-21-15-33(10-9-22(21)31-26(32-27)19-11-28-17-29-12-19)14-20-13-30-23-7-4-8-24(25(20)23)35-16-18-5-2-1-3-6-18/h1-8,11-13,17,30H,9-10,14-16H2,(H,31,32,34)
InChIKeySJCKHBCIFOHGDJ-UHFFFAOYSA-N
XLogP3.85
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862360
6-[(5-fluoro-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861486
6-[(2,3-dihydroxyphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916679
6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910065
6-[(6-phenyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944451
2-(4-chlorophenyl)-6-[(5-phenylmethoxy-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861371
2-pyrimidin-5-yl-6-[(2,3,4-trimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916559
3-[(4-oxo-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]benzonitrile
CID 135919056
6-[(4-ethylphenyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919653
6-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917799
6-[(3-ethoxy-2-hydroxyphenyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918888
6-[(6-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944171

Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862363) is 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cncnc2)nc2c1CN(Cc1c[nH]c3cccc(OCc4ccccc4)c13)CC2.
What is the InChIKey of 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is SJCKHBCIFOHGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c34-27-21-15-33(10-9-22(21)31-26(32-27)19-11-28-17-29-12-19)14-20-13-30-23-7-4-8-24(25(20)23)35-16-18-5-2-1-3-6-18/h1-8,11-13,17,30H,9-10,14-16H2,(H,31,32,34).
What are the key properties of 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 464.53 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).