N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C20H17F5N4O2 — CID 154655358

IUPACN-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc2nc(C3CC(F)(F)C3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H17F5N4O2/c1-2-31-15-6-17-27-13(11-7-19(21,22)8-11)9-29(17)10-14(15)28-18(30)12-4-3-5-16(26-12)20(23,24)25/h3-6,9-11H,2,7-8H2,1H3,(H,28,30)
InChIKeyCMSIYHAFQASIAL-UHFFFAOYSA-N
MW440.37 g/mol
LogP4.91
Rot. Bonds5

About N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154655358) has the molecular formula C20H17F5N4O2 and a molecular weight of 440.37 g/mol. Its IUPAC name is N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154655358
Molecular FormulaC20H17F5N4O2
Molecular Weight440.37 g/mol
Exact Mass440.13
IUPAC NameN-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc2nc(C3CC(F)(F)C3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H17F5N4O2/c1-2-31-15-6-17-27-13(11-7-19(21,22)8-11)9-29(17)10-14(15)28-18(30)12-4-3-5-16(26-12)20(23,24)25/h3-6,9-11H,2,7-8H2,1H3,(H,28,30)
InChIKeyCMSIYHAFQASIAL-UHFFFAOYSA-N
XLogP4.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
CID 164996643
N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 166468053
N-(2-piperidin-4-yl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 166468246
N-(2-piperidin-4-yl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175845324
N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655793
N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998188
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
6-acetamido-N-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)pyridine-2-carboxamide
CID 154655727
ethyl 2-[4-(phenylmethoxymethyl)cyclohexyl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
CID 164568070
N-[6-ethoxy-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155437685
ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
CID 155167092
N-[2-[1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]butyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 166468081

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 154655358) is N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CCOc1cc2nc(C3CC(F)(F)C3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CMSIYHAFQASIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5N4O2/c1-2-31-15-6-17-27-13(11-7-19(21,22)8-11)9-29(17)10-14(15)28-18(30)12-4-3-5-16(26-12)20(23,24)25/h3-6,9-11H,2,7-8H2,1H3,(H,28,30).
What are the key properties of N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 440.37 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154655358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).