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

C20H18N6 — CID 94664592

IUPAC1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CCC[C@H]4c4ccccn4)ncnc32)cc1
InChIInChI=1S/C20H18N6/c1-2-7-15(8-3-1)26-20-16(13-24-26)19(22-14-23-20)25-12-6-10-18(25)17-9-4-5-11-21-17/h1-5,7-9,11,13-14,18H,6,10,12H2/t18-/m0/s1
InChIKeyVKZGMYMMNFXUOD-SFHVURJKSA-N
MW342.41 g/mol
LogP3.55
Rot. Bonds3

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

1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 94664592) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID94664592
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CCC[C@H]4c4ccccn4)ncnc32)cc1
InChIInChI=1S/C20H18N6/c1-2-7-15(8-3-1)26-20-16(13-24-26)19(22-14-23-20)25-12-6-10-18(25)17-9-4-5-11-21-17/h1-5,7-9,11,13-14,18H,6,10,12H2/t18-/m0/s1
InChIKeyVKZGMYMMNFXUOD-SFHVURJKSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 94664592) is 1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine is c1ccc(-n2ncc3c(N4CCC[C@H]4c4ccccn4)ncnc32)cc1.
What is the InChIKey of 1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is VKZGMYMMNFXUOD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18N6/c1-2-7-15(8-3-1)26-20-16(13-24-26)19(22-14-23-20)25-12-6-10-18(25)17-9-4-5-11-21-17/h1-5,7-9,11,13-14,18H,6,10,12H2/t18-/m0/s1.
What are the key properties of 1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 342.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 94664592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).