2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile

C28H35FN6O — CID 172636978

IUPAC2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
SMILESCC[C@H]1CN(C(C)c2ccc(F)cc2C2CC2)[C@H](CC)CN1c1cc(=O)n(C)c2cn(CC#N)nc12
InChIInChI=1S/C28H35FN6O/c1-5-21-16-35(25-14-27(36)32(4)26-17-33(12-11-30)31-28(25)26)22(6-2)15-34(21)18(3)23-10-9-20(29)13-24(23)19-7-8-19/h9-10,13-14,17-19,21-22H,5-8,12,15-16H2,1-4H3/t18?,21-,22+/m1/s1
InChIKeySFPNGOUBBCWWQD-YPFKAFGZSA-N
MW490.63 g/mol
LogP4.72
Rot. Bonds7

About 2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile

2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile (PubChem CID 172636978) has the molecular formula C28H35FN6O and a molecular weight of 490.63 g/mol. Its IUPAC name is 2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
PubChem CID172636978
Molecular FormulaC28H35FN6O
Molecular Weight490.63 g/mol
Exact Mass490.29
IUPAC Name2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
SMILESCC[C@H]1CN(C(C)c2ccc(F)cc2C2CC2)[C@H](CC)CN1c1cc(=O)n(C)c2cn(CC#N)nc12
InChIInChI=1S/C28H35FN6O/c1-5-21-16-35(25-14-27(36)32(4)26-17-33(12-11-30)31-28(25)26)22(6-2)15-34(21)18(3)23-10-9-20(29)13-24(23)19-7-8-19/h9-10,13-14,17-19,21-22H,5-8,12,15-16H2,1-4H3/t18?,21-,22+/m1/s1
InChIKeySFPNGOUBBCWWQD-YPFKAFGZSA-N
XLogP4.72
TPSA70.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[7-[(2S,5R)-2,5-diethyl-4-[1-[4-fluoro-2-(1-hydroxyethyl)phenyl]ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 172636995
2-[(1R)-1-[(2R,5S)-4-[2-(cyanomethyl)-4-methyl-5-oxopyrazolo[4,3-b]pyridin-7-yl]-2,5-diethylpiperazin-1-yl]ethyl]-5-fluorobenzonitrile
CID 172637040
2-[7-[(2S,5R)-4-[(1S)-1-(4-cyclopropyl-2-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 172636874
2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 172636869
2-[7-[(2S,5R)-5-ethyl-4-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-methylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 172637032
2-[7-[(2S,5R)-2,5-diethyl-4-[1-(1-methyl-2-oxo-3-pyridinyl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 172636905
2-[7-[(2S,5R)-4-[(1R)-1-(6-cyclopropyl-3-pyridinyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 178185184
2-[7-[(2S,5R)-2,5-diethyl-4-[(4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 172636857
2-[7-[(2S,5R)-2,5-diethyl-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 171480154
2-but-2-ynyl-7-[(2S,5R)-2,5-diethyl-4-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-4-methylpyrazolo[4,3-b]pyridin-5-one
CID 172637056
2-[7-[(2S,5R)-2,5-diethyl-4-[1-(3-methylbenzimidazol-5-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 172636865
2-[7-[(2S,5R)-2,5-diethyl-4-(1-pyrimidin-4-ylethyl)piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 172636938

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile (CID 172636978) is 2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile is CC[C@H]1CN(C(C)c2ccc(F)cc2C2CC2)[C@H](CC)CN1c1cc(=O)n(C)c2cn(CC#N)nc12.
What is the InChIKey of 2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile?
The InChIKey is SFPNGOUBBCWWQD-YPFKAFGZSA-N. The full InChI is InChI=1S/C28H35FN6O/c1-5-21-16-35(25-14-27(36)32(4)26-17-33(12-11-30)31-28(25)26)22(6-2)15-34(21)18(3)23-10-9-20(29)13-24(23)19-7-8-19/h9-10,13-14,17-19,21-22H,5-8,12,15-16H2,1-4H3/t18?,21-,22+/m1/s1.
What are the key properties of 2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile?
2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile has a molecular weight of 490.63 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2S,5R)-4-[1-(2-cyclopropyl-4-fluorophenyl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile is sourced from PubChem (CID 172636978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).