3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide

C24H19F4N5O — CID 144929459

IUPAC3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide
SMILESN/C=C\C(N)c1cc(C(=O)Nc2c(-c3ccccc3)nc3c(F)cccn23)ccc1C(F)(F)F
InChIInChI=1S/C24H19F4N5O/c25-18-7-4-12-33-21(18)31-20(14-5-2-1-3-6-14)22(33)32-23(34)15-8-9-17(24(26,27)28)16(13-15)19(30)10-11-29/h1-13,19H,29-30H2,(H,32,34)/b11-10-
InChIKeyAQSURHHZJOEXFS-KHPPLWFESA-N
MW469.44 g/mol
LogP4.88
Rot. Bonds5

About 3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide

3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 144929459) has the molecular formula C24H19F4N5O and a molecular weight of 469.44 g/mol. Its IUPAC name is 3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID144929459
Molecular FormulaC24H19F4N5O
Molecular Weight469.44 g/mol
Exact Mass469.15
IUPAC Name3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide
SMILESN/C=C\C(N)c1cc(C(=O)Nc2c(-c3ccccc3)nc3c(F)cccn23)ccc1C(F)(F)F
InChIInChI=1S/C24H19F4N5O/c25-18-7-4-12-33-21(18)31-20(14-5-2-1-3-6-14)22(33)32-23(34)15-8-9-17(24(26,27)28)16(13-15)19(30)10-11-29/h1-13,19H,29-30H2,(H,32,34)/b11-10-
InChIKeyAQSURHHZJOEXFS-KHPPLWFESA-N
XLogP4.88
TPSA98.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.44
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(Z)-1-amino-3-(methylamino)prop-2-enyl]-2-chloro-N-(2-phenyl-7-propan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 144934451
4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694194
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 42693739
N-methyl-2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
CID 144629096
N-[7-(azetidine-1-carbonyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118395474
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CID 60520237
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-pyrazol-1-ylbenzamide
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3-(1-methylpyrazol-3-yl)-N-(2-phenylimidazo[1,2-b]pyridazin-3-yl)-4-(trifluoromethyl)benzamide
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3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694201
3-(1-methylpyrazol-3-yl)-N-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-4-(trifluoromethyl)benzamide
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4-(2-methyl-4-oxoquinazolin-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide (CID 144929459) is 3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide is N/C=C\C(N)c1cc(C(=O)Nc2c(-c3ccccc3)nc3c(F)cccn23)ccc1C(F)(F)F.
What is the InChIKey of 3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is AQSURHHZJOEXFS-KHPPLWFESA-N. The full InChI is InChI=1S/C24H19F4N5O/c25-18-7-4-12-33-21(18)31-20(14-5-2-1-3-6-14)22(33)32-23(34)15-8-9-17(24(26,27)28)16(13-15)19(30)10-11-29/h1-13,19H,29-30H2,(H,32,34)/b11-10-.
What are the key properties of 3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide?
3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 469.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1,3-diaminoprop-2-enyl]-N-(8-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 144929459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).