N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide

C27H25F4N5O2 — CID 57380326

IUPACN-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)nc(-c4ccc(F)c(CO)c4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C27H25F4N5O2/c1-15-10-17(2-6-20(15)26(38)34-19-4-5-19)23-12-33-25-24(32-9-8-27(29,30)31)35-22(13-36(23)25)16-3-7-21(28)18(11-16)14-37/h2-3,6-7,10-13,19,37H,4-5,8-9,14H2,1H3,(H,32,35)(H,34,38)
InChIKeyUADDSUFTYAMTKZ-UHFFFAOYSA-N
MW527.52 g/mol
LogP5.26
Rot. Bonds8

About N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide (PubChem CID 57380326) has the molecular formula C27H25F4N5O2 and a molecular weight of 527.52 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
PubChem CID57380326
Molecular FormulaC27H25F4N5O2
Molecular Weight527.52 g/mol
Exact Mass527.19
IUPAC NameN-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)nc(-c4ccc(F)c(CO)c4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C27H25F4N5O2/c1-15-10-17(2-6-20(15)26(38)34-19-4-5-19)23-12-33-25-24(32-9-8-27(29,30)31)35-22(13-36(23)25)16-3-7-21(28)18(11-16)14-37/h2-3,6-7,10-13,19,37H,4-5,8-9,14H2,1H3,(H,32,35)(H,34,38)
InChIKeyUADDSUFTYAMTKZ-UHFFFAOYSA-N
XLogP5.26
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.52
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide (CID 57380326) is N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)nc(-c4ccc(F)c(CO)c4)cn23)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
The InChIKey is UADDSUFTYAMTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F4N5O2/c1-15-10-17(2-6-20(15)26(38)34-19-4-5-19)23-12-33-25-24(32-9-8-27(29,30)31)35-22(13-36(23)25)16-3-7-21(28)18(11-16)14-37/h2-3,6-7,10-13,19,37H,4-5,8-9,14H2,1H3,(H,32,35)(H,34,38).
What are the key properties of N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide?
N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide has a molecular weight of 527.52 g/mol, XLogP of 5.26, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-[4-fluoro-3-(hydroxymethyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 57380326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).