1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C24H21F3N4O2 — CID 44547594

IUPAC1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(CCO)cc4)ccn23)c1
InChIInChI=1S/C24H21F3N4O2/c25-24(26,27)15-29-23(33)30-20-3-1-2-19(12-20)21-14-28-22-13-18(8-10-31(21)22)17-6-4-16(5-7-17)9-11-32/h1-8,10,12-14,32H,9,11,15H2,(H2,29,30,33)
InChIKeyXHBILJGMHZEZKH-UHFFFAOYSA-N
MW454.45 g/mol
LogP4.89
Rot. Bonds6

About 1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 44547594) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is 1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID44547594
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC Name1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(CCO)cc4)ccn23)c1
InChIInChI=1S/C24H21F3N4O2/c25-24(26,27)15-29-23(33)30-20-3-1-2-19(12-20)21-14-28-22-13-18(8-10-31(21)22)17-6-4-16(5-7-17)9-11-32/h1-8,10,12-14,32H,9,11,15H2,(H2,29,30,33)
InChIKeyXHBILJGMHZEZKH-UHFFFAOYSA-N
XLogP4.89
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazopyridine 12b
CID 5329348
Imidazopyridine 12c
CID 5329349
3-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}propan-1-ol
CID 24746381
1-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-hydroxybutan-2-yl]-3-[3-(1-methylimidazol-2-yl)phenyl]urea
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ATX inhibitor 12
CID 163409051
N-[3-[4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide
CID 137639118
4-[4-[4-(4-fluorophenyl)-5-(2-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenyl]butan-1-ol
CID 168298564
2-[4-[4-(4-fluorophenyl)-5-(2-phenyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenyl]ethanol
CID 168299850
(2R)-2-[[9-propan-2-yl-6-[(4-pyridin-3-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol
CID 9802824
1-(3-(8-(Pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)-3-m-tolylurea
CID 11496099
1-(4-Methyl-3-(trifluoromethyl)phenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11548082
1-(3-(8-(2-(Pyridin-4-yl)ethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 11670808

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 44547594) is 1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(CCO)cc4)ccn23)c1.
What is the InChIKey of 1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is XHBILJGMHZEZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c25-24(26,27)15-29-23(33)30-20-3-1-2-19(12-20)21-14-28-22-13-18(8-10-31(21)22)17-6-4-16(5-7-17)9-11-32/h1-8,10,12-14,32H,9,11,15H2,(H2,29,30,33).
What are the key properties of 1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 454.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-[4-(2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 44547594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).