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

C18H16F5N5 — CID 166961811

IUPAC6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESFC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2c1
InChIInChI=1S/C18H16F5N5/c19-17(20)10-4-5-16-25-8-14(28(16)9-10)12-2-1-3-15(26-12)27-13-7-24-6-11(13)18(21,22)23/h1-5,8-9,11,13,17,24H,6-7H2,(H,26,27)/t11-,13-/m0/s1
InChIKeyYGDAYHUWESEYBV-AAEUAGOBSA-N
MW397.35 g/mol
LogP3.90
Rot. Bonds4

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

6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 166961811) has the molecular formula C18H16F5N5 and a molecular weight of 397.35 g/mol. Its IUPAC name is 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
PubChem CID166961811
Molecular FormulaC18H16F5N5
Molecular Weight397.35 g/mol
Exact Mass397.13
IUPAC Name6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESFC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2c1
InChIInChI=1S/C18H16F5N5/c19-17(20)10-4-5-16-25-8-14(28(16)9-10)12-2-1-3-15(26-12)27-13-7-24-6-11(13)18(21,22)23/h1-5,8-9,11,13,17,24H,6-7H2,(H,26,27)/t11-,13-/m0/s1
InChIKeyYGDAYHUWESEYBV-AAEUAGOBSA-N
XLogP3.90
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine (CID 166961811) is 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine is FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)(F)F)n3)n2c1.
What is the InChIKey of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is YGDAYHUWESEYBV-AAEUAGOBSA-N. The full InChI is InChI=1S/C18H16F5N5/c19-17(20)10-4-5-16-25-8-14(28(16)9-10)12-2-1-3-15(26-12)27-13-7-24-6-11(13)18(21,22)23/h1-5,8-9,11,13,17,24H,6-7H2,(H,26,27)/t11-,13-/m0/s1.
What are the key properties of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 397.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).