4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine

C18H21N5O — CID 138041623

IUPAC4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCOc1cccc(C2CCCN2c2nc(C)nc3c2cnn3C)c1
InChIInChI=1S/C18H21N5O/c1-12-20-17-15(11-19-22(17)2)18(21-12)23-9-5-8-16(23)13-6-4-7-14(10-13)24-3/h4,6-7,10-11,16H,5,8-9H2,1-3H3
InChIKeyZPEDQWCUBCESHK-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.02
Rot. Bonds3

About 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine

4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine (PubChem CID 138041623) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
PubChem CID138041623
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCOc1cccc(C2CCCN2c2nc(C)nc3c2cnn3C)c1
InChIInChI=1S/C18H21N5O/c1-12-20-17-15(11-19-22(17)2)18(21-12)23-9-5-8-16(23)13-6-4-7-14(10-13)24-3/h4,6-7,10-11,16H,5,8-9H2,1-3H3
InChIKeyZPEDQWCUBCESHK-UHFFFAOYSA-N
XLogP3.02
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,6-dimethyl-4-(2-phenylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 56816112
1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 94521504
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]quinoline
CID 133331422
4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 33379975
4-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 42891735
5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133369937
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole
CID 125138384
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 154794501
3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 133333528
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
3-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-phenylpiperidin-2-one
CID 86959123

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine (CID 138041623) is 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine is COc1cccc(C2CCCN2c2nc(C)nc3c2cnn3C)c1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The InChIKey is ZPEDQWCUBCESHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-20-17-15(11-19-22(17)2)18(21-12)23-9-5-8-16(23)13-6-4-7-14(10-13)24-3/h4,6-7,10-11,16H,5,8-9H2,1-3H3.
What are the key properties of 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine has a molecular weight of 323.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 138041623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).