2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile

C22H18N6O2 — CID 146670171

IUPAC2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cnc1N1CC[C@H](O)C1
InChIInChI=1S/C22H18N6O2/c23-9-14-8-15(10-24-20(14)27-7-6-17(29)11-27)18-12-28(16-4-2-1-3-5-16)21-19(18)22(30)26-13-25-21/h1-5,8,10,12-13,17,29H,6-7,11H2,(H,25,26,30)/t17-/m0/s1
InChIKeyLSFODNINPIMXOL-KRWDZBQOSA-N
MW398.43 g/mol
LogP2.22
Rot. Bonds3

About 2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile

2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile (PubChem CID 146670171) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile
PubChem CID146670171
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cnc1N1CC[C@H](O)C1
InChIInChI=1S/C22H18N6O2/c23-9-14-8-15(10-24-20(14)27-7-6-17(29)11-27)18-12-28(16-4-2-1-3-5-16)21-19(18)22(30)26-13-25-21/h1-5,8,10,12-13,17,29H,6-7,11H2,(H,25,26,30)/t17-/m0/s1
InChIKeyLSFODNINPIMXOL-KRWDZBQOSA-N
XLogP2.22
TPSA110.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile (CID 146670171) is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile is N#Cc1cc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cnc1N1CC[C@H](O)C1.
What is the InChIKey of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile?
The InChIKey is LSFODNINPIMXOL-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H18N6O2/c23-9-14-8-15(10-24-20(14)27-7-6-17(29)11-27)18-12-28(16-4-2-1-3-5-16)21-19(18)22(30)26-13-25-21/h1-5,8,10,12-13,17,29H,6-7,11H2,(H,25,26,30)/t17-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile?
2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile has a molecular weight of 398.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(4-oxo-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 146670171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).