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

C26H24F3N5O — CID 66551039

IUPACN-cyclopropyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccncc4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C26H24F3N5O/c1-16-12-18(2-5-21(16)25(35)33-20-3-4-20)23-14-32-24-22(31-11-8-26(27,28)29)13-19(15-34(23)24)17-6-9-30-10-7-17/h2,5-7,9-10,12-15,20,31H,3-4,8,11H2,1H3,(H,33,35)
InChIKeyTZWVNVOKDIPGJS-UHFFFAOYSA-N
MW479.51 g/mol
LogP5.63
Rot. Bonds7

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

N-cyclopropyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 66551039) has the molecular formula C26H24F3N5O and a molecular weight of 479.51 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID66551039
Molecular FormulaC26H24F3N5O
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC NameN-cyclopropyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccncc4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C26H24F3N5O/c1-16-12-18(2-5-21(16)25(35)33-20-3-4-20)23-14-32-24-22(31-11-8-26(27,28)29)13-19(15-34(23)24)17-6-9-30-10-7-17/h2,5-7,9-10,12-15,20,31H,3-4,8,11H2,1H3,(H,33,35)
InChIKeyTZWVNVOKDIPGJS-UHFFFAOYSA-N
XLogP5.63
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.51
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 66551039) is N-cyclopropyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccncc4)cn23)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is TZWVNVOKDIPGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O/c1-16-12-18(2-5-21(16)25(35)33-20-3-4-20)23-14-32-24-22(31-11-8-26(27,28)29)13-19(15-34(23)24)17-6-9-30-10-7-17/h2,5-7,9-10,12-15,20,31H,3-4,8,11H2,1H3,(H,33,35).
What are the key properties of N-cyclopropyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-cyclopropyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 479.51 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 66551039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).