5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile

C24H26N6O — CID 129115555

IUPAC5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile
SMILESCCc1ccc(-c2c(-c3ccc(C#N)nc3)nc(NC[C@H]3CCNC3)c(=O)n2C)cc1
InChIInChI=1S/C24H26N6O/c1-3-16-4-6-18(7-5-16)22-21(19-8-9-20(12-25)27-15-19)29-23(24(31)30(22)2)28-14-17-10-11-26-13-17/h4-9,15,17,26H,3,10-11,13-14H2,1-2H3,(H,28,29)/t17-/m0/s1
InChIKeyJWTPNXAUPDSMTR-KRWDZBQOSA-N
MW414.51 g/mol
LogP2.96
Rot. Bonds6

About 5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile

5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile (PubChem CID 129115555) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile
PubChem CID129115555
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile
SMILESCCc1ccc(-c2c(-c3ccc(C#N)nc3)nc(NC[C@H]3CCNC3)c(=O)n2C)cc1
InChIInChI=1S/C24H26N6O/c1-3-16-4-6-18(7-5-16)22-21(19-8-9-20(12-25)27-15-19)29-23(24(31)30(22)2)28-14-17-10-11-26-13-17/h4-9,15,17,26H,3,10-11,13-14H2,1-2H3,(H,28,29)/t17-/m0/s1
InChIKeyJWTPNXAUPDSMTR-KRWDZBQOSA-N
XLogP2.96
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-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 5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile (CID 129115555) is 5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile is CCc1ccc(-c2c(-c3ccc(C#N)nc3)nc(NC[C@H]3CCNC3)c(=O)n2C)cc1.
What is the InChIKey of 5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile?
The InChIKey is JWTPNXAUPDSMTR-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N6O/c1-3-16-4-6-18(7-5-16)22-21(19-8-9-20(12-25)27-15-19)29-23(24(31)30(22)2)28-14-17-10-11-26-13-17/h4-9,15,17,26H,3,10-11,13-14H2,1-2H3,(H,28,29)/t17-/m0/s1.
What are the key properties of 5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile?
5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile has a molecular weight of 414.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethylphenyl)-4-methyl-5-oxo-6-[[(3S)-pyrrolidin-3-yl]methylamino]pyrazin-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 129115555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).