4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid

C27H30F3N7O6S — CID 86345569

IUPAC4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N1CCC(c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H29N7O4S.C2HF3O2/c26-37(33,34)31-9-7-19(8-10-31)22-15-27-24(30-11-13-35-14-12-30)25-28-20(16-32(22)25)17-36-23-6-5-18-3-1-2-4-21(18)29-23;3-2(4,5)1(6)7/h1-6,15-16,19H,7-14,17H2,(H2,26,33,34);(H,6,7)
InChIKeyXPKJBVVTCXUPEP-UHFFFAOYSA-N
MW637.64 g/mol
LogP2.71
Rot. Bonds6

About 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid

4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 86345569) has the molecular formula C27H30F3N7O6S and a molecular weight of 637.64 g/mol. Its IUPAC name is 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID86345569
Molecular FormulaC27H30F3N7O6S
Molecular Weight637.64 g/mol
Exact Mass637.19
IUPAC Name4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)N1CCC(c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H29N7O4S.C2HF3O2/c26-37(33,34)31-9-7-19(8-10-31)22-15-27-24(30-11-13-35-14-12-30)25-28-20(16-32(22)25)17-36-23-6-5-18-3-1-2-4-21(18)29-23;3-2(4,5)1(6)7/h1-6,15-16,19H,7-14,17H2,(H2,26,33,34);(H,6,7)
InChIKeyXPKJBVVTCXUPEP-UHFFFAOYSA-N
XLogP2.71
TPSA165.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.64
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 86345571
5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]pyridine-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 86345643
N'-hydroxy-8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazine-5-carboximidamide
CID 137209345
N'-hydroxy-8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazine-5-carboximidamide
CID 136942070
tert-butyl 4-[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 86345944
N-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]sulfonylacetamide
CID 86345857
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(3-quinolin-2-ylazetidin-1-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine;2,2,2-trifluoroacetic acid
CID 86345532
6-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-3H-1,3-benzoxazol-2-one
CID 86345647
2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one
CID 86346032
[[amino-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]methylidene]amino] ethyl carbonate
CID 123657151
5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054754
4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide
CID 153158267

Frequently Asked Questions

What is the IUPAC name of 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid (CID 86345569) is 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid is NS(=O)(=O)N1CCC(c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is XPKJBVVTCXUPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O4S.C2HF3O2/c26-37(33,34)31-9-7-19(8-10-31)22-15-27-24(30-11-13-35-14-12-30)25-28-20(16-32(22)25)17-36-23-6-5-18-3-1-2-4-21(18)29-23;3-2(4,5)1(6)7/h1-6,15-16,19H,7-14,17H2,(H2,26,33,34);(H,6,7).
What are the key properties of 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid?
4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 637.64 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidine-1-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86345569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).