6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine

C18H17F4N5O — CID 166961652

IUPAC6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESFC(F)Oc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)F)n3)n2c1
InChIInChI=1S/C18H17F4N5O/c19-17(20)11-6-23-7-13(11)26-15-3-1-2-12(25-15)14-8-24-16-5-4-10(9-27(14)16)28-18(21)22/h1-5,8-9,11,13,17-18,23H,6-7H2,(H,25,26)/t11-,13-/m0/s1
InChIKeyFLXHMSFCIMZSJT-AAEUAGOBSA-N
MW395.36 g/mol
LogP3.26
Rot. Bonds6

About 6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine

6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 166961652) has the molecular formula C18H17F4N5O and a molecular weight of 395.36 g/mol. Its IUPAC name is 6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
PubChem CID166961652
Molecular FormulaC18H17F4N5O
Molecular Weight395.36 g/mol
Exact Mass395.14
IUPAC Name6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESFC(F)Oc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)F)n3)n2c1
InChIInChI=1S/C18H17F4N5O/c19-17(20)11-6-23-7-13(11)26-15-3-1-2-12(25-15)14-8-24-16-5-4-10(9-27(14)16)28-18(21)22/h1-5,8-9,11,13,17-18,23H,6-7H2,(H,25,26)/t11-,13-/m0/s1
InChIKeyFLXHMSFCIMZSJT-AAEUAGOBSA-N
XLogP3.26
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(6-(difluorometh-oxy)imidazo[1,2-a]-pyridin-3-yl)-N-((3S, 4S)-4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 163603259
6-(7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 163632878
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 163752818
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 163766315
6-[7-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
CID 164023848
1-ethyl-3-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]-1-[(1R)-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]urea
CID 164536645
6-(7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl)-N-((3S,4S)-4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 166961542
N-((3S,4S)-4-fluoropyrrolidin-3-yl)-6-(7-isopropoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 166961710
3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 71520979
2-(4-(2-Methoxyphenyl)piperazin-1-ylmethyl)imidazo(1,2-a)pyridine
CID 6469693
N-(2-(6-Methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)ethyl)acetamide
CID 11702296
4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylaniline
CID 17759205

Frequently Asked Questions

What is the IUPAC name of 6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine (CID 166961652) is 6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine is FC(F)Oc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)F)n3)n2c1.
What is the InChIKey of 6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is FLXHMSFCIMZSJT-AAEUAGOBSA-N. The full InChI is InChI=1S/C18H17F4N5O/c19-17(20)11-6-23-7-13(11)26-15-3-1-2-12(25-15)14-8-24-16-5-4-10(9-27(14)16)28-18(21)22/h1-5,8-9,11,13,17-18,23H,6-7H2,(H,25,26)/t11-,13-/m0/s1.
What are the key properties of 6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 395.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(difluoromethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).