2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C24H20ClF3N6O — CID 57383249

IUPAC2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCCC(F)(F)F)nc(-c4ccncc4)cn23)cc1Cl
InChIInChI=1S/C24H20ClF3N6O/c25-18-11-15(1-4-17(18)23(35)32-16-2-3-16)20-12-31-22-21(30-10-7-24(26,27)28)33-19(13-34(20)22)14-5-8-29-9-6-14/h1,4-6,8-9,11-13,16H,2-3,7,10H2,(H,30,33)(H,32,35)
InChIKeyJXVVAWJMSUGUSZ-UHFFFAOYSA-N
MW500.91 g/mol
LogP5.37
Rot. Bonds7

About 2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57383249) has the molecular formula C24H20ClF3N6O and a molecular weight of 500.91 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID57383249
Molecular FormulaC24H20ClF3N6O
Molecular Weight500.91 g/mol
Exact Mass500.13
IUPAC Name2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCCC(F)(F)F)nc(-c4ccncc4)cn23)cc1Cl
InChIInChI=1S/C24H20ClF3N6O/c25-18-11-15(1-4-17(18)23(35)32-16-2-3-16)20-12-31-22-21(30-10-7-24(26,27)28)33-19(13-34(20)22)14-5-8-29-9-6-14/h1,4-6,8-9,11-13,16H,2-3,7,10H2,(H,30,33)(H,32,35)
InChIKeyJXVVAWJMSUGUSZ-UHFFFAOYSA-N
XLogP5.37
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.91
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57383249) is 2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCCC(F)(F)F)nc(-c4ccncc4)cn23)cc1Cl.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is JXVVAWJMSUGUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N6O/c25-18-11-15(1-4-17(18)23(35)32-16-2-3-16)20-12-31-22-21(30-10-7-24(26,27)28)33-19(13-34(20)22)14-5-8-29-9-6-14/h1,4-6,8-9,11-13,16H,2-3,7,10H2,(H,30,33)(H,32,35).
What are the key properties of 2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 500.91 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57383249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).