[(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone

C59H47F6N11O2 — CID 170977665

IUPAC[(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESCC1=C(c2ccn(C[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)c3c(-c4ccccc4F)nn4cc(-c5ccc(-c6nc7cc(C(F)(F)F)ccn7c6C(=O)N6CC[C@H]6Cn6ccc(-c7ccc(F)cn7)n6)cc5)ccc34)n2)C=CC(F)=CC1C
InChIInChI=1S/C59H47F6N11O2/c1-33-25-40(60)12-14-44(34(33)2)47-19-21-72(68-47)32-43-26-38-27-51(38)76(43)57(77)53-50-16-11-37(30-75(50)70-55(53)45-5-3-4-6-46(45)62)35-7-9-36(10-8-35)54-56(74-23-17-39(59(63,64)65)28-52(74)67-54)58(78)73-24-18-42(73)31-71-22-20-49(69-71)48-15-13-41(61)29-66-48/h3-17,19-23,25,28-30,33,38,42-43,51H,18,24,26-27,31-32H2,1-2H3/t33?,38-,42+,43+,51+/m1/s1
InChIKeyMXOSTLBJTYCGSH-BMJNQDTGSA-N
MW1056.09 g/mol
LogP11.79
Rot. Bonds11

About [(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone

[(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone (PubChem CID 170977665) has the molecular formula C59H47F6N11O2 and a molecular weight of 1056.09 g/mol. Its IUPAC name is [(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone
PubChem CID170977665
Molecular FormulaC59H47F6N11O2
Molecular Weight1056.09 g/mol
Exact Mass1055.38
IUPAC Name[(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone
SMILESCC1=C(c2ccn(C[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)c3c(-c4ccccc4F)nn4cc(-c5ccc(-c6nc7cc(C(F)(F)F)ccn7c6C(=O)N6CC[C@H]6Cn6ccc(-c7ccc(F)cn7)n6)cc5)ccc34)n2)C=CC(F)=CC1C
InChIInChI=1S/C59H47F6N11O2/c1-33-25-40(60)12-14-44(34(33)2)47-19-21-72(68-47)32-43-26-38-27-51(38)76(43)57(77)53-50-16-11-37(30-75(50)70-55(53)45-5-3-4-6-46(45)62)35-7-9-36(10-8-35)54-56(74-23-17-39(59(63,64)65)28-52(74)67-54)58(78)73-24-18-42(73)31-71-22-20-49(69-71)48-15-13-41(61)29-66-48/h3-17,19-23,25,28-30,33,38,42-43,51H,18,24,26-27,31-32H2,1-2H3/t33?,38-,42+,43+,51+/m1/s1
InChIKeyMXOSTLBJTYCGSH-BMJNQDTGSA-N
XLogP11.79
TPSA123.75 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001056.09
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-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

N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]pyrazolo[3,4-c]pyridin-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079772
US11071730, Example 161
CID 146639989
US11597728, Example 420
CID 146480323
US11597728, Example 419
CID 168058693
US12473304, Example 288
CID 156828951
US12473304, Example 43
CID 156829076
US12473304, Example 263
CID 156829301
US12473304, Example 287
CID 156829334
US12473304, Example 273
CID 156829519
US12473304, Example 69
CID 156829738
US12473304, Example 264
CID 156829900
4-[8-amino-7-[5-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-[2-(trifluoromethyl)prop-2-enoyl]pyrrolidin-3-yl]-3-(1-but-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-7-ium-1-yl]-N-pyridin-2-ylbenzamide
CID 123398222

Frequently Asked Questions

What is the IUPAC name of [(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone?
The IUPAC name of [(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone (CID 170977665) is [(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone.
What is the SMILES notation for [(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone?
The canonical SMILES for [(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone is CC1=C(c2ccn(C[C@@H]3C[C@@H]4C[C@@H]4N3C(=O)c3c(-c4ccccc4F)nn4cc(-c5ccc(-c6nc7cc(C(F)(F)F)ccn7c6C(=O)N6CC[C@H]6Cn6ccc(-c7ccc(F)cn7)n6)cc5)ccc34)n2)C=CC(F)=CC1C.
What is the InChIKey of [(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone?
The InChIKey is MXOSTLBJTYCGSH-BMJNQDTGSA-N. The full InChI is InChI=1S/C59H47F6N11O2/c1-33-25-40(60)12-14-44(34(33)2)47-19-21-72(68-47)32-43-26-38-27-51(38)76(43)57(77)53-50-16-11-37(30-75(50)70-55(53)45-5-3-4-6-46(45)62)35-7-9-36(10-8-35)54-56(74-23-17-39(59(63,64)65)28-52(74)67-54)58(78)73-24-18-42(73)31-71-22-20-49(69-71)48-15-13-41(61)29-66-48/h3-17,19-23,25,28-30,33,38,42-43,51H,18,24,26-27,31-32H2,1-2H3/t33?,38-,42+,43+,51+/m1/s1.
What are the key properties of [(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone?
[(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone has a molecular weight of 1056.09 g/mol, XLogP of 11.79, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,5S)-3-[[3-(5-fluoro-2,3-dimethylcyclohepta-1,4,6-trien-1-yl)pyrazol-1-yl]methyl]-2-azabicyclo[3.1.0]hexan-2-yl]-[2-(2-fluorophenyl)-6-[4-[3-[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]azetidine-1-carbonyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]pyrazolo[1,5-a]pyridin-3-yl]methanone is sourced from PubChem (CID 170977665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).