N-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C29H23F3N6O2 — CID 118395474

IUPACN-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)nc4cc(C(=O)N5CCC5)ccn34)ccc2C(F)(F)F)n1
InChIInChI=1S/C29H23F3N6O2/c1-36-14-11-23(35-36)21-16-19(8-9-22(21)29(30,31)32)27(39)34-26-25(18-6-3-2-4-7-18)33-24-17-20(10-15-38(24)26)28(40)37-12-5-13-37/h2-4,6-11,14-17H,5,12-13H2,1H3,(H,34,39)
InChIKeyHXCNSOMKMJIKSP-UHFFFAOYSA-N
MW544.54 g/mol
LogP5.52
Rot. Bonds5

About N-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118395474) has the molecular formula C29H23F3N6O2 and a molecular weight of 544.54 g/mol. Its IUPAC name is N-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118395474
Molecular FormulaC29H23F3N6O2
Molecular Weight544.54 g/mol
Exact Mass544.18
IUPAC NameN-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)nc4cc(C(=O)N5CCC5)ccn34)ccc2C(F)(F)F)n1
InChIInChI=1S/C29H23F3N6O2/c1-36-14-11-23(35-36)21-16-19(8-9-22(21)29(30,31)32)27(39)34-26-25(18-6-3-2-4-7-18)33-24-17-20(10-15-38(24)26)28(40)37-12-5-13-37/h2-4,6-11,14-17H,5,12-13H2,1H3,(H,34,39)
InChIKeyHXCNSOMKMJIKSP-UHFFFAOYSA-N
XLogP5.52
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.54
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl-[2-[3-[[3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenylimidazo[1,2-a]pyridin-7-yl]ethyl]carbamic acid
CID 129051213
3-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,2-b]pyridazin-3-yl)-4-(trifluoromethyl)benzamide
CID 118395423
N-[7-(1-ethoxyethenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118395441
3-(1-methylpyrazol-3-yl)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118395445
N-(1-acetyl-3-phenylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118392831
N-[6-[(2R)-2-hydroxypropanoyl]-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393258
3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide
CID 118392902
N-[3-(2-hydroxypropan-2-yl)-6-phenylpyrazolo[1,5-a]pyridin-7-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 122609283
N-[6-(2-amino-2-oxoethyl)-2-phenyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393473
N-[7-(1-ethoxyethenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 129051211
4-(fluoromethyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)benzamide
CID 144929458
3-bromo-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 2887934

Frequently Asked Questions

What is the IUPAC name of N-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118395474) is N-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)nc4cc(C(=O)N5CCC5)ccn34)ccc2C(F)(F)F)n1.
What is the InChIKey of N-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is HXCNSOMKMJIKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N6O2/c1-36-14-11-23(35-36)21-16-19(8-9-22(21)29(30,31)32)27(39)34-26-25(18-6-3-2-4-7-18)33-24-17-20(10-15-38(24)26)28(40)37-12-5-13-37/h2-4,6-11,14-17H,5,12-13H2,1H3,(H,34,39).
What are the key properties of N-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 544.54 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118395474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).