2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile

C27H32N8O — CID 172637145

IUPAC2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
SMILESCC[C@H]1CN([C@@H](C)c2cc3cnccc3cn2)[C@H](CC)CN1c1cc(=O)n(C)c2cn(CC#N)nc12
InChIInChI=1S/C27H32N8O/c1-5-21-16-35(24-12-26(36)32(4)25-17-33(10-8-28)31-27(24)25)22(6-2)15-34(21)18(3)23-11-20-13-29-9-7-19(20)14-30-23/h7,9,11-14,17-18,21-22H,5-6,10,15-16H2,1-4H3/t18-,21+,22-/m0/s1
InChIKeyYZKWVJLUQQWBMW-BWAGFHJFSA-N
MW484.61 g/mol
LogP3.64
Rot. Bonds6

About 2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile

2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile (PubChem CID 172637145) has the molecular formula C27H32N8O and a molecular weight of 484.61 g/mol. Its IUPAC name is 2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
PubChem CID172637145
Molecular FormulaC27H32N8O
Molecular Weight484.61 g/mol
Exact Mass484.27
IUPAC Name2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
SMILESCC[C@H]1CN([C@@H](C)c2cc3cnccc3cn2)[C@H](CC)CN1c1cc(=O)n(C)c2cn(CC#N)nc12
InChIInChI=1S/C27H32N8O/c1-5-21-16-35(24-12-26(36)32(4)25-17-33(10-8-28)31-27(24)25)22(6-2)15-34(21)18(3)23-11-20-13-29-9-7-19(20)14-30-23/h7,9,11-14,17-18,21-22H,5-6,10,15-16H2,1-4H3/t18-,21+,22-/m0/s1
InChIKeyYZKWVJLUQQWBMW-BWAGFHJFSA-N
XLogP3.64
TPSA95.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile with MolForge

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Related Compounds

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
2-[7-[(2S,5R)-2,5-diethyl-4-[(1R)-1-quinoxalin-2-ylethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 172636960
2-[7-[(2S,5R)-4-[(1R)-1-[6-(difluoromethyl)-3-pyridinyl]ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 172637122
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)-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)-4-[(1R)-1-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]-2,5-diethylpiperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 178185330
2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-imidazo[1,2-a]pyridin-6-ylethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 178185221
2-[7-[(2S,5R)-2,5-diethyl-4-[1-[6-(2-fluoropropan-2-yl)-3-pyridinyl]ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 177310026
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-[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)-2,5-diethyl-4-[1-[2-(methoxymethyl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile
CID 177310031
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

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile (CID 172637145) is 2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile is CC[C@H]1CN([C@@H](C)c2cc3cnccc3cn2)[C@H](CC)CN1c1cc(=O)n(C)c2cn(CC#N)nc12.
What is the InChIKey of 2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile?
The InChIKey is YZKWVJLUQQWBMW-BWAGFHJFSA-N. The full InChI is InChI=1S/C27H32N8O/c1-5-21-16-35(24-12-26(36)32(4)25-17-33(10-8-28)31-27(24)25)22(6-2)15-34(21)18(3)23-11-20-13-29-9-7-19(20)14-30-23/h7,9,11-14,17-18,21-22H,5-6,10,15-16H2,1-4H3/t18-,21+,22-/m0/s1.
What are the key properties of 2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile?
2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile has a molecular weight of 484.61 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2S,5R)-2,5-diethyl-4-[(1S)-1-(2,6-naphthyridin-3-yl)ethyl]piperazin-1-yl]-4-methyl-5-oxopyrazolo[4,3-b]pyridin-2-yl]acetonitrile is sourced from PubChem (CID 172637145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).