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

C18H17F4N5 — CID 166961722

IUPAC6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESFC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)F)n3)n2c1
InChIInChI=1S/C18H17F4N5/c19-17(20)10-4-5-16-24-8-14(27(16)9-10)12-2-1-3-15(25-12)26-13-7-23-6-11(13)18(21)22/h1-5,8-9,11,13,17-18,23H,6-7H2,(H,25,26)/t11-,13-/m0/s1
InChIKeyPKAXKMPZRBQIOO-AAEUAGOBSA-N
MW379.36 g/mol
LogP3.60
Rot. Bonds5

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

6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 166961722) has the molecular formula C18H17F4N5 and a molecular weight of 379.36 g/mol. Its IUPAC name is 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
PubChem CID166961722
Molecular FormulaC18H17F4N5
Molecular Weight379.36 g/mol
Exact Mass379.14
IUPAC Name6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine
SMILESFC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)F)n3)n2c1
InChIInChI=1S/C18H17F4N5/c19-17(20)10-4-5-16-24-8-14(27(16)9-10)12-2-1-3-15(25-12)26-13-7-23-6-11(13)18(21)22/h1-5,8-9,11,13,17-18,23H,6-7H2,(H,25,26)/t11-,13-/m0/s1
InChIKeyPKAXKMPZRBQIOO-AAEUAGOBSA-N
XLogP3.60
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 53.60
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-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine (CID 166961722) is 6-[6-(difluoromethyl)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-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine is FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4C(F)F)n3)n2c1.
What is the InChIKey of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is PKAXKMPZRBQIOO-AAEUAGOBSA-N. The full InChI is InChI=1S/C18H17F4N5/c19-17(20)10-4-5-16-24-8-14(27(16)9-10)12-2-1-3-15(25-12)26-13-7-23-6-11(13)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-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine?
6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 379.36 g/mol, XLogP of 3.60, 5 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-(difluoromethyl)pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).