N-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide

C29H29F3N6O3 — CID 171744097

IUPACN-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(OCCN2CCOCC2)c1Cc1cnc2cnccn12)c1ccc2c(c1)NCC2
InChIInChI=1S/C29H29F3N6O3/c30-29(31,32)21-14-25(36-28(39)20-2-1-19-3-4-34-24(19)13-20)23(16-22-17-35-27-18-33-5-6-38(22)27)26(15-21)41-12-9-37-7-10-40-11-8-37/h1-2,5-6,13-15,17-18,34H,3-4,7-12,16H2,(H,36,39)
InChIKeyHULIOSDXIGLJNO-UHFFFAOYSA-N
MW566.58 g/mol
LogP4.27
Rot. Bonds8

About N-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide

N-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide (PubChem CID 171744097) has the molecular formula C29H29F3N6O3 and a molecular weight of 566.58 g/mol. Its IUPAC name is N-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide
PubChem CID171744097
Molecular FormulaC29H29F3N6O3
Molecular Weight566.58 g/mol
Exact Mass566.23
IUPAC NameN-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(OCCN2CCOCC2)c1Cc1cnc2cnccn12)c1ccc2c(c1)NCC2
InChIInChI=1S/C29H29F3N6O3/c30-29(31,32)21-14-25(36-28(39)20-2-1-19-3-4-34-24(19)13-20)23(16-22-17-35-27-18-33-5-6-38(22)27)26(15-21)41-12-9-37-7-10-40-11-8-37/h1-2,5-6,13-15,17-18,34H,3-4,7-12,16H2,(H,36,39)
InChIKeyHULIOSDXIGLJNO-UHFFFAOYSA-N
XLogP4.27
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.58
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
CID 165142586
N-[4-(2-morpholin-4-ylethoxy)-3-pyridinyl]-2-[[(1Z,3E)-5,5,5-trifluoro-4-methyl-1-(methylideneamino)penta-1,3-dienyl]amino]pyridine-4-carboxamide
CID 130280314
1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-2,3-dihydroindole-6-carboxamide
CID 165142556
N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 84559427
2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-4-carboxamide
CID 59258524
N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-indole-6-carboxamide
CID 84561960
3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methyl-N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide
CID 24827077
4-methyl-3-(5-methyl-2-methylimino-4a,5-dihydro-1H-quinazolin-6-yl)-N-[2-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 143211158
N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 71051708
N-[3-(2-methylpyrazol-3-yl)-4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 11670336
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109154066
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816

Frequently Asked Questions

What is the IUPAC name of N-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide?
The IUPAC name of N-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide (CID 171744097) is N-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide.
What is the SMILES notation for N-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide?
The canonical SMILES for N-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(OCCN2CCOCC2)c1Cc1cnc2cnccn12)c1ccc2c(c1)NCC2.
What is the InChIKey of N-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide?
The InChIKey is HULIOSDXIGLJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N6O3/c30-29(31,32)21-14-25(36-28(39)20-2-1-19-3-4-34-24(19)13-20)23(16-22-17-35-27-18-33-5-6-38(22)27)26(15-21)41-12-9-37-7-10-40-11-8-37/h1-2,5-6,13-15,17-18,34H,3-4,7-12,16H2,(H,36,39).
What are the key properties of N-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide?
N-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide has a molecular weight of 566.58 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(2-morpholin-4-ylethoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-6-carboxamide is sourced from PubChem (CID 171744097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).