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

C18H19F2N5 — CID 166961582

IUPAC6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine
SMILESC[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1
InChIInChI=1S/C18H19F2N5/c1-11-7-21-8-14(11)24-16-4-2-3-13(23-16)15-9-22-17-6-5-12(18(19)20)10-25(15)17/h2-6,9-11,14,18,21H,7-8H2,1H3,(H,23,24)/t11-,14-/m0/s1
InChIKeyMEBULVBTXSYJKD-FZMZJTMJSA-N
MW343.38 g/mol
LogP3.35
Rot. Bonds4

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

6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine (PubChem CID 166961582) has the molecular formula C18H19F2N5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine
PubChem CID166961582
Molecular FormulaC18H19F2N5
Molecular Weight343.38 g/mol
Exact Mass343.16
IUPAC Name6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine
SMILESC[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1
InChIInChI=1S/C18H19F2N5/c1-11-7-21-8-14(11)24-16-4-2-3-13(23-16)15-9-22-17-6-5-12(18(19)20)10-25(15)17/h2-6,9-11,14,18,21H,7-8H2,1H3,(H,23,24)/t11-,14-/m0/s1
InChIKeyMEBULVBTXSYJKD-FZMZJTMJSA-N
XLogP3.35
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.35
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-methylpyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine (CID 166961582) is 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-methylpyrrolidin-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-methylpyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine is C[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C(F)F)cn23)n1.
What is the InChIKey of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is MEBULVBTXSYJKD-FZMZJTMJSA-N. The full InChI is InChI=1S/C18H19F2N5/c1-11-7-21-8-14(11)24-16-4-2-3-13(23-16)15-9-22-17-6-5-12(18(19)20)10-25(15)17/h2-6,9-11,14,18,21H,7-8H2,1H3,(H,23,24)/t11-,14-/m0/s1.
What are the key properties of 6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine?
6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R,4S)-4-methylpyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 343.38 g/mol, XLogP of 3.35, 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-methylpyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).