1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C33H35F4N7O6 — CID 175841235

IUPAC1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(C(=O)N[C@@H]6CNC[C@H]6O)CC5)c(C)c4)nccn23)cc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C31H34FN7O4.C2HF3O2/c1-18-13-21(36-28-29-35-16-25(39(29)12-9-34-28)20-3-6-27(43-2)23(32)14-20)4-5-22(18)31(42)38-10-7-19(8-11-38)30(41)37-24-15-33-17-26(24)40;3-2(4,5)1(6)7/h3-6,9,12-14,16,19,24,26,33,40H,7-8,10-11,15,17H2,1-2H3,(H,34,36)(H,37,41);(H,6,7)/t24-,26-;/m1./s1
InChIKeyKJXRPQPBJKBXRO-KIYHWMLUSA-N
MW701.68 g/mol
LogP3.53
Rot. Bonds7

About 1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175841235) has the molecular formula C33H35F4N7O6 and a molecular weight of 701.68 g/mol. Its IUPAC name is 1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID175841235
Molecular FormulaC33H35F4N7O6
Molecular Weight701.68 g/mol
Exact Mass701.26
IUPAC Name1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(C(=O)N[C@@H]6CNC[C@H]6O)CC5)c(C)c4)nccn23)cc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C31H34FN7O4.C2HF3O2/c1-18-13-21(36-28-29-35-16-25(39(29)12-9-34-28)20-3-6-27(43-2)23(32)14-20)4-5-22(18)31(42)38-10-7-19(8-11-38)30(41)37-24-15-33-17-26(24)40;3-2(4,5)1(6)7/h3-6,9,12-14,16,19,24,26,33,40H,7-8,10-11,15,17H2,1-2H3,(H,34,36)(H,37,41);(H,6,7)/t24-,26-;/m1./s1
InChIKeyKJXRPQPBJKBXRO-KIYHWMLUSA-N
XLogP3.53
TPSA170.42 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500701.68
LogP ≤ 53.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[4-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 149453016
[(2R)-azetidin-2-yl]-[4-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]methanone
CID 154943693
[1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 166593358
(3S,4R)-1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-3-hydroxy-N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 154943498
[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 154943886
[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 154943640
[4-[4-[[3-(2,3-difluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone;hydrochloride
CID 175841216
2-chloro-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
CID 150596520
2-ethyl-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
CID 166593371
tert-butyl N-[2-[1-[4-[[3-[3-fluoro-4-(4-hydroxybut-2-ynoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperidin-4-yl]ethyl]carbamate
CID 154943194
[4-[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 154943656
[2-bromo-4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 154943973

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 175841235) is 1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(C(=O)N[C@@H]6CNC[C@H]6O)CC5)c(C)c4)nccn23)cc1F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KJXRPQPBJKBXRO-KIYHWMLUSA-N. The full InChI is InChI=1S/C31H34FN7O4.C2HF3O2/c1-18-13-21(36-28-29-35-16-25(39(29)12-9-34-28)20-3-6-27(43-2)23(32)14-20)4-5-22(18)31(42)38-10-7-19(8-11-38)30(41)37-24-15-33-17-26(24)40;3-2(4,5)1(6)7/h3-6,9,12-14,16,19,24,26,33,40H,7-8,10-11,15,17H2,1-2H3,(H,34,36)(H,37,41);(H,6,7)/t24-,26-;/m1./s1.
What are the key properties of 1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 701.68 g/mol, XLogP of 3.53, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175841235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).