1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C20H16ClF3N6O — CID 143908065

IUPAC1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C4=CC=C(Cl)NN4)ccn23)c1
InChIInChI=1S/C20H16ClF3N6O/c21-17-5-4-15(28-29-17)12-6-7-30-16(10-25-18(30)9-12)13-2-1-3-14(8-13)27-19(31)26-11-20(22,23)24/h1-10,28-29H,11H2,(H2,26,27,31)
InChIKeyAQYQBFFSOXUJED-UHFFFAOYSA-N
MW448.84 g/mol
LogP4.21
Rot. Bonds4

About 1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 143908065) has the molecular formula C20H16ClF3N6O and a molecular weight of 448.84 g/mol. Its IUPAC name is 1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID143908065
Molecular FormulaC20H16ClF3N6O
Molecular Weight448.84 g/mol
Exact Mass448.10
IUPAC Name1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C4=CC=C(Cl)NN4)ccn23)c1
InChIInChI=1S/C20H16ClF3N6O/c21-17-5-4-15(28-29-17)12-6-7-30-16(10-25-18(30)9-12)13-2-1-3-14(8-13)27-19(31)26-11-20(22,23)24/h1-10,28-29H,11H2,(H2,26,27,31)
InChIKeyAQYQBFFSOXUJED-UHFFFAOYSA-N
XLogP4.21
TPSA82.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.84
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[3-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320990
3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321130
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
[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]boronic acid
CID 59320848
1-[3-[7-(5-methyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320919
1-[3-[7-(2,4-dimethyl-1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321020
1-[3-(7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320981
1-(2,2,2-trifluoroethyl)-3-[3-[7-(1,4,5-trimethylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 59321137
1-[3-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321171
1-[3-[7-(4-methoxy-1-methylpyrazol-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 143908026
1-(2,2,2-trifluoroethyl)-3-[3-[7-[4-(trifluoromethyl)-1,4-dihydropyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 89121309

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 143908065) is 1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C4=CC=C(Cl)NN4)ccn23)c1.
What is the InChIKey of 1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is AQYQBFFSOXUJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N6O/c21-17-5-4-15(28-29-17)12-6-7-30-16(10-25-18(30)9-12)13-2-1-3-14(8-13)27-19(31)26-11-20(22,23)24/h1-10,28-29H,11H2,(H2,26,27,31).
What are the key properties of 1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 448.84 g/mol, XLogP of 4.21, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(6-chloro-1,2-dihydropyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 143908065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).