1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea

C19H17F3N4O2 — CID 170752835

IUPAC1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N(Cc1ccn2ccnc2c1)C1CC1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)28-16-5-1-14(2-6-16)24-18(27)26(15-3-4-15)12-13-7-9-25-10-8-23-17(25)11-13/h1-2,5-11,15H,3-4,12H2,(H,24,27)
InChIKeyXQSQQUOVTMULAP-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.43
Rot. Bonds5

About 1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea

1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 170752835) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID170752835
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N(Cc1ccn2ccnc2c1)C1CC1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)28-16-5-1-14(2-6-16)24-18(27)26(15-3-4-15)12-13-7-9-25-10-8-23-17(25)11-13/h1-2,5-11,15H,3-4,12H2,(H,24,27)
InChIKeyXQSQQUOVTMULAP-UHFFFAOYSA-N
XLogP4.43
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea with MolForge

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Related Compounds

1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 13201307
4-[[4-[(3-methoxy-3-oxopropyl)carbamoyl]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]piperidine-1-carboxylic acid
CID 22502136
3-[[4-[[(3,4-dimethylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]benzoyl]amino]propanoic acid
CID 18347005
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
CID 53351089
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080116
5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 170752801
1-cyclopropyl-N-[4-(trifluoromethoxy)phenyl]imidazol-2-amine
CID 106557392
2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16577681
1-benzyl-1-(1-pentan-2-ylpiperidin-4-yl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 126711574
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] N,N-dicyclohexylcarbamodithioate
CID 87047998

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 170752835) is 1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)N(Cc1ccn2ccnc2c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is XQSQQUOVTMULAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)28-16-5-1-14(2-6-16)24-18(27)26(15-3-4-15)12-13-7-9-25-10-8-23-17(25)11-13/h1-2,5-11,15H,3-4,12H2,(H,24,27).
What are the key properties of 1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 390.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 170752835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).