1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine

C20H18N6 — CID 164635273

IUPAC1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CC[C@H](c5ccccn5)C4)ncnc32)cc1
InChIInChI=1S/C20H18N6/c1-2-6-16(7-3-1)26-20-17(12-24-26)19(22-14-23-20)25-11-9-15(13-25)18-8-4-5-10-21-18/h1-8,10,12,14-15H,9,11,13H2/t15-/m0/s1
InChIKeyWAOLMKRPSAYLNE-HNNXBMFYSA-N
MW342.41 g/mol
LogP3.20
Rot. Bonds3

About 1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine

1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 164635273) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID164635273
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CC[C@H](c5ccccn5)C4)ncnc32)cc1
InChIInChI=1S/C20H18N6/c1-2-6-16(7-3-1)26-20-17(12-24-26)19(22-14-23-20)25-11-9-15(13-25)18-8-4-5-10-21-18/h1-8,10,12,14-15H,9,11,13H2/t15-/m0/s1
InChIKeyWAOLMKRPSAYLNE-HNNXBMFYSA-N
XLogP3.20
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 127616498
1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1050412
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 94664592
1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 97211756
4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 3756032
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
4-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
CID 7205389
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 950348
1-(3-bromophenyl)-4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 139014677

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 164635273) is 1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine is c1ccc(-n2ncc3c(N4CC[C@H](c5ccccn5)C4)ncnc32)cc1.
What is the InChIKey of 1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is WAOLMKRPSAYLNE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H18N6/c1-2-6-16(7-3-1)26-20-17(12-24-26)19(22-14-23-20)25-11-9-15(13-25)18-8-4-5-10-21-18/h1-8,10,12,14-15H,9,11,13H2/t15-/m0/s1.
What are the key properties of 1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 342.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 164635273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).