[2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone

C51H46F6N10O2 — CID 170977846

IUPAC[2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone
SMILESC=C(/C=N\C(=C/C)NC[C@@H]1CCCN1C(=O)c1c(-c2ccccc2)nn2cc(-c3ccc(-c4nc5ccccn5c4C(=O)N4CCC[C@H]4CNc4ccc(C(F)(F)F)cn4)cc3)ccc12)C(F)(F)F
InChIInChI=1S/C51H46F6N10O2/c1-3-41(58-27-32(2)50(52,53)54)60-29-38-13-9-25-64(38)48(68)44-40-22-20-36(31-67(40)63-45(44)34-11-5-4-6-12-34)33-16-18-35(19-17-33)46-47(66-24-8-7-15-43(66)62-46)49(69)65-26-10-14-39(65)30-61-42-23-21-37(28-59-42)51(55,56)57/h3-8,11-12,15-24,27-28,31,38-39,60H,2,9-10,13-14,25-26,29-30H2,1H3,(H,59,61)/b41-3+,58-27-/t38-,39-/m0/s1
InChIKeyWUPHJZWPJFBWDF-ZGWQGLSYSA-N
MW944.99 g/mol
LogP10.36
Rot. Bonds13

About [2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone

[2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 170977846) has the molecular formula C51H46F6N10O2 and a molecular weight of 944.99 g/mol. Its IUPAC name is [2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone
PubChem CID170977846
Molecular FormulaC51H46F6N10O2
Molecular Weight944.99 g/mol
Exact Mass944.37
IUPAC Name[2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone
SMILESC=C(/C=N\C(=C/C)NC[C@@H]1CCCN1C(=O)c1c(-c2ccccc2)nn2cc(-c3ccc(-c4nc5ccccn5c4C(=O)N4CCC[C@H]4CNc4ccc(C(F)(F)F)cn4)cc3)ccc12)C(F)(F)F
InChIInChI=1S/C51H46F6N10O2/c1-3-41(58-27-32(2)50(52,53)54)60-29-38-13-9-25-64(38)48(68)44-40-22-20-36(31-67(40)63-45(44)34-11-5-4-6-12-34)33-16-18-35(19-17-33)46-47(66-24-8-7-15-43(66)62-46)49(69)65-26-10-14-39(65)30-61-42-23-21-37(28-59-42)51(55,56)57/h3-8,11-12,15-24,27-28,31,38-39,60H,2,9-10,13-14,25-26,29-30H2,1H3,(H,59,61)/b41-3+,58-27-/t38-,39-/m0/s1
InChIKeyWUPHJZWPJFBWDF-ZGWQGLSYSA-N
XLogP10.36
TPSA124.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.99
LogP ≤ 510.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone 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-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024498
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283192
N-(5-((2-(2,2-Dimethylpyrrolidin-1-yl)ethyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283395
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283574
N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71291191
TRK degrader CG416
CID 146410659
4-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469439
1-methyl-4-N-[(5-methyl-2-pyridinyl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469620
1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
CID 67388016
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide
CID 67388460

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone (CID 170977846) is [2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone is C=C(/C=N\C(=C/C)NC[C@@H]1CCCN1C(=O)c1c(-c2ccccc2)nn2cc(-c3ccc(-c4nc5ccccn5c4C(=O)N4CCC[C@H]4CNc4ccc(C(F)(F)F)cn4)cc3)ccc12)C(F)(F)F.
What is the InChIKey of [2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is WUPHJZWPJFBWDF-ZGWQGLSYSA-N. The full InChI is InChI=1S/C51H46F6N10O2/c1-3-41(58-27-32(2)50(52,53)54)60-29-38-13-9-25-64(38)48(68)44-40-22-20-36(31-67(40)63-45(44)34-11-5-4-6-12-34)33-16-18-35(19-17-33)46-47(66-24-8-7-15-43(66)62-46)49(69)65-26-10-14-39(65)30-61-42-23-21-37(28-59-42)51(55,56)57/h3-8,11-12,15-24,27-28,31,38-39,60H,2,9-10,13-14,25-26,29-30H2,1H3,(H,59,61)/b41-3+,58-27-/t38-,39-/m0/s1.
What are the key properties of [2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone?
[2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 944.99 g/mol, XLogP of 10.36, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-6-[4-[3-[(2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]-[(2S)-2-[[[(Z)-1-[(Z)-2-(trifluoromethyl)prop-2-enylideneamino]prop-1-enyl]amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 170977846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).