3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide

C16H14F3N5O — CID 143787924

IUPAC3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESNC(=O)c1ccn2c(-c3ccc(C(N)C(F)(F)F)c(N)c3)cnc2c1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)14(21)10-2-1-8(5-11(10)20)12-7-23-13-6-9(15(22)25)3-4-24(12)13/h1-7,14H,20-21H2,(H2,22,25)
InChIKeyKQBPVQNYMLZUHY-UHFFFAOYSA-N
MW349.32 g/mol
LogP2.24
Rot. Bonds3

About 3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide

3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 143787924) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID143787924
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESNC(=O)c1ccn2c(-c3ccc(C(N)C(F)(F)F)c(N)c3)cnc2c1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)14(21)10-2-1-8(5-11(10)20)12-7-23-13-6-9(15(22)25)3-4-24(12)13/h1-7,14H,20-21H2,(H2,22,25)
InChIKeyKQBPVQNYMLZUHY-UHFFFAOYSA-N
XLogP2.24
TPSA112.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
4-amino-4-[3-(3-iodophenyl)imidazo[1,2-a]pyridin-7-yl]but-3-en-2-one
CID 143706846
1-[3-[7-[(1Z,3E)-1,4-diamino-4-methoxybuta-1,3-dienyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2-difluoro-2-phosphanylethyl)urea
CID 143908204
1-[3-[7-[N'-[(E)-5-methylhept-3-en-4-yl]carbamimidoyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 143706985
3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 170240809
1-[3-[7-(5-amino-4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 86766770
1-[3-[7-[1-(methoxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 123311856
3-[7-[3-(ethylamino)-2-methylphenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 174600872
1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321130
1-[3-(7-acetylimidazo[1,2-a]pyridin-3-yl)phenyl]-5,5,5-trifluoropentan-2-one;3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 91455358
2-methoxy-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)aniline
CID 162371918
2-(3-phenylimidazo[1,2-a]pyridin-7-yl)aniline
CID 141390574

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 143787924) is 3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide is NC(=O)c1ccn2c(-c3ccc(C(N)C(F)(F)F)c(N)c3)cnc2c1.
What is the InChIKey of 3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is KQBPVQNYMLZUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c17-16(18,19)14(21)10-2-1-8(5-11(10)20)12-7-23-13-6-9(15(22)25)3-4-24(12)13/h1-7,14H,20-21H2,(H2,22,25).
What are the key properties of 3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 349.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(1-amino-2,2,2-trifluoroethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 143787924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).