4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine

C21H27N5O2 — CID 95871874

IUPAC4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine
SMILESCCCc1nc(N2CC[C@H](c3cccc(OC)c3OC)C2)c2cnn(C)c2n1
InChIInChI=1S/C21H27N5O2/c1-5-7-18-23-20-16(12-22-25(20)2)21(24-18)26-11-10-14(13-26)15-8-6-9-17(27-3)19(15)28-4/h6,8-9,12,14H,5,7,10-11,13H2,1-4H3/t14-/m0/s1
InChIKeyIOXLZIIXHJOKTQ-AWEZNQCLSA-N
MW381.48 g/mol
LogP3.33
Rot. Bonds6

About 4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine

4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine (PubChem CID 95871874) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine
PubChem CID95871874
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine
SMILESCCCc1nc(N2CC[C@H](c3cccc(OC)c3OC)C2)c2cnn(C)c2n1
InChIInChI=1S/C21H27N5O2/c1-5-7-18-23-20-16(12-22-25(20)2)21(24-18)26-11-10-14(13-26)15-8-6-9-17(27-3)19(15)28-4/h6,8-9,12,14H,5,7,10-11,13H2,1-4H3/t14-/m0/s1
InChIKeyIOXLZIIXHJOKTQ-AWEZNQCLSA-N
XLogP3.33
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 56897120
[4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95715130
6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 95889188
6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95718779
1-(3-bromophenyl)-4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 139014677
1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine
CID 56912583
2-[[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 124754070
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 77083033
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 131925255
3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 134700481
6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 56885738

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine (CID 95871874) is 4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine is CCCc1nc(N2CC[C@H](c3cccc(OC)c3OC)C2)c2cnn(C)c2n1.
What is the InChIKey of 4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine?
The InChIKey is IOXLZIIXHJOKTQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-5-7-18-23-20-16(12-22-25(20)2)21(24-18)26-11-10-14(13-26)15-8-6-9-17(27-3)19(15)28-4/h6,8-9,12,14H,5,7,10-11,13H2,1-4H3/t14-/m0/s1.
What are the key properties of 4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine?
4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine has a molecular weight of 381.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 95871874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).