Skip to content

2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile

C32H32F2N8O4 — CID 154943427

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile
SMILESCc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)[C@@H]2C[C@](C)(O)CN2)CC1
InChIInChI=1S/C32H32F2N8O4/c1-19-15-20(3-4-21(19)30(43)40-10-12-41(13-11-40)31(44)23-16-32(2,45)18-38-23)39-28-29-37-17-24(42(29)9-8-36-28)22-5-6-25(46-14-7-35)27(34)26(22)33/h3-6,8-9,15,17,23,38,45H,10-14,16,18H2,1-2H3,(H,36,39)/t23-,32-/m0/s1
InChIKeyCCWRGLCRDMCLEK-UDNBHOFDSA-N
MW630.66 g/mol
LogP3.03
Rot. Bonds7

About 2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile

2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile (PubChem CID 154943427) has the molecular formula C32H32F2N8O4 and a molecular weight of 630.66 g/mol. Its IUPAC name is 2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile
PubChem CID154943427
Molecular FormulaC32H32F2N8O4
Molecular Weight630.66 g/mol
Exact Mass630.25
IUPAC Name2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile
SMILESCc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)[C@@H]2C[C@](C)(O)CN2)CC1
InChIInChI=1S/C32H32F2N8O4/c1-19-15-20(3-4-21(19)30(43)40-10-12-41(13-11-40)31(44)23-16-32(2,45)18-38-23)39-28-29-37-17-24(42(29)9-8-36-28)22-5-6-25(46-14-7-35)27(34)26(22)33/h3-6,8-9,15,17,23,38,45H,10-14,16,18H2,1-2H3,(H,36,39)/t23-,32-/m0/s1
InChIKeyCCWRGLCRDMCLEK-UDNBHOFDSA-N
XLogP3.03
TPSA148.12 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.66
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile 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-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile?
The IUPAC name of 2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile (CID 154943427) is 2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile is Cc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)[C@@H]2C[C@](C)(O)CN2)CC1.
What is the InChIKey of 2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile?
The InChIKey is CCWRGLCRDMCLEK-UDNBHOFDSA-N. The full InChI is InChI=1S/C32H32F2N8O4/c1-19-15-20(3-4-21(19)30(43)40-10-12-41(13-11-40)31(44)23-16-32(2,45)18-38-23)39-28-29-37-17-24(42(29)9-8-36-28)22-5-6-25(46-14-7-35)27(34)26(22)33/h3-6,8-9,15,17,23,38,45H,10-14,16,18H2,1-2H3,(H,36,39)/t23-,32-/m0/s1.
What are the key properties of 2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile?
2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile has a molecular weight of 630.66 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-4-[8-[4-[4-[(2S,4S)-4-hydroxy-4-methylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-3-methylanilino]imidazo[1,2-a]pyrazin-3-yl]phenoxy]acetonitrile is sourced from PubChem (CID 154943427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.