5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione

C30H29N5O2 — CID 69428189

IUPAC5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cn(C)c4ccccc34)n(Cc3cccc4ccccc34)nc21
InChIInChI=1S/C30H29N5O2/c1-19(2)16-34-28-26(29(36)33(4)30(34)37)27(24-18-32(3)25-15-8-7-14-23(24)25)35(31-28)17-21-12-9-11-20-10-5-6-13-22(20)21/h5-15,18-19H,16-17H2,1-4H3
InChIKeyOBJDHNKVJPCZQZ-UHFFFAOYSA-N
MW491.60 g/mol
LogP4.91
Rot. Bonds5

About 5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione

5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 69428189) has the molecular formula C30H29N5O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID69428189
Molecular FormulaC30H29N5O2
Molecular Weight491.60 g/mol
Exact Mass491.23
IUPAC Name5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cn(C)c4ccccc34)n(Cc3cccc4ccccc34)nc21
InChIInChI=1S/C30H29N5O2/c1-19(2)16-34-28-26(29(36)33(4)30(34)37)27(24-18-32(3)25-15-8-7-14-23(24)25)35(31-28)17-21-12-9-11-20-10-5-6-13-22(20)21/h5-15,18-19H,16-17H2,1-4H3
InChIKeyOBJDHNKVJPCZQZ-UHFFFAOYSA-N
XLogP4.91
TPSA66.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-Methyl-3-(1-Methyl-1h-Imidazol-5-Yl)-7-(2-Methylpropyl)-2-(Naphthalen-1-Ylmethyl)-2h-Pyrazolo[3,4-D]pyrimidine-4,6(5h,7h)-Dione
CID 57383474
1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide
CID 168007913
2,3-Dihydro-1-(5-methyl-1-phenylpyrazol4-yl carbonyl)-8-(4methylpiperazin-1-yl)pyrrolo[3,2-g]isoquinoline
CID 9955522
5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CID 16069302
[8-(4-Methylpiperazin-1-yl)-2,3-dihydropyrrolo[3,2-g]isoquinolin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 44404249
(R)-(4-(4-(indolin-1-yl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
CID 49862371
2-[(6-chloroquinolin-4-yl)methyl]-7-isobutyl-5-methyl-3-(1-methyl-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CID 58981175
N-[(1,2-Dihydro-1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-(1-methylethyl)-6-[6-[4-(1-methylethyl)-1-piperazinyl]-3-pyridinyl]-1H-indazole-4-carboxamide
CID 91691116
2-amino-N-[(1S)-1-[8-[2-(1-methylpyrazol-3-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004010
4,5-Dimethyl-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 134347340
1-Methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-(1-phenylethyl)indole-3-carboxamide
CID 165437244
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 169551941

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione (CID 69428189) is 5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione is CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cn(C)c4ccccc34)n(Cc3cccc4ccccc34)nc21.
What is the InChIKey of 5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is OBJDHNKVJPCZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2/c1-19(2)16-34-28-26(29(36)33(4)30(34)37)27(24-18-32(3)25-15-8-7-14-23(24)25)35(31-28)17-21-12-9-11-20-10-5-6-13-22(20)21/h5-15,18-19H,16-17H2,1-4H3.
What are the key properties of 5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?
5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 491.60 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-methylindol-3-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 69428189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).