N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide

C18H15Cl2FN4O2 — CID 89353136

IUPACN-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NOCC1CC1)c1cn2ccnc2c(F)c1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2FN4O2/c19-11-3-4-14(13(20)7-11)23-16-12(18(26)24-27-9-10-1-2-10)8-25-6-5-22-17(25)15(16)21/h3-8,10,23H,1-2,9H2,(H,24,26)
InChIKeyWSMRIZGQLMAOKP-UHFFFAOYSA-N
MW409.25 g/mol
LogP4.60
Rot. Bonds6

About N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide

N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 89353136) has the molecular formula C18H15Cl2FN4O2 and a molecular weight of 409.25 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID89353136
Molecular FormulaC18H15Cl2FN4O2
Molecular Weight409.25 g/mol
Exact Mass408.06
IUPAC NameN-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NOCC1CC1)c1cn2ccnc2c(F)c1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2FN4O2/c19-11-3-4-14(13(20)7-11)23-16-12(18(26)24-27-9-10-1-2-10)8-25-6-5-22-17(25)15(16)21/h3-8,10,23H,1-2,9H2,(H,24,26)
InChIKeyWSMRIZGQLMAOKP-UHFFFAOYSA-N
XLogP4.60
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.25
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide
CID 89185454
3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 58886667
5-chloro-2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
CID 22271643
7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353165
7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353191
CID 163986010
CID 163986010
N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide
CID 24852482
CID 142808181
CID 142808181
8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 58760507
2-[[7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carbonyl]amino]oxyethyl dihydrogen phosphate
CID 58760505
6-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-methyl-1,2-benzoxazole-5-carboxamide
CID 58760516
7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide
CID 11685443

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide (CID 89353136) is N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide is O=C(NOCC1CC1)c1cn2ccnc2c(F)c1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is WSMRIZGQLMAOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN4O2/c19-11-3-4-14(13(20)7-11)23-16-12(18(26)24-27-9-10-1-2-10)8-25-6-5-22-17(25)15(16)21/h3-8,10,23H,1-2,9H2,(H,24,26).
What are the key properties of N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide?
N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 409.25 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 89353136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).