N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

C17H15F4N5O — CID 163441994

IUPACN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESF[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cc(OC(F)(F)F)ccn23)n1
InChIInChI=1S/C17H15F4N5O/c18-11-7-22-8-13(11)25-15-3-1-2-12(24-15)14-9-23-16-6-10(4-5-26(14)16)27-17(19,20)21/h1-6,9,11,13,22H,7-8H2,(H,24,25)/t11-,13-/m0/s1
InChIKeyAZIKDQBYCZVPSU-AAEUAGOBSA-N
MW381.33 g/mol
LogP3.02
Rot. Bonds4

About N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 163441994) has the molecular formula C17H15F4N5O and a molecular weight of 381.33 g/mol. Its IUPAC name is N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID163441994
Molecular FormulaC17H15F4N5O
Molecular Weight381.33 g/mol
Exact Mass381.12
IUPAC NameN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESF[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cc(OC(F)(F)F)ccn23)n1
InChIInChI=1S/C17H15F4N5O/c18-11-7-22-8-13(11)25-15-3-1-2-12(24-15)14-9-23-16-6-10(4-5-26(14)16)27-17(19,20)21/h1-6,9,11,13,22H,7-8H2,(H,24,25)/t11-,13-/m0/s1
InChIKeyAZIKDQBYCZVPSU-AAEUAGOBSA-N
XLogP3.02
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 163441994) is N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is F[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cc(OC(F)(F)F)ccn23)n1.
What is the InChIKey of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is AZIKDQBYCZVPSU-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H15F4N5O/c18-11-7-22-8-13(11)25-15-3-1-2-12(24-15)14-9-23-16-6-10(4-5-26(14)16)27-17(19,20)21/h1-6,9,11,13,22H,7-8H2,(H,24,25)/t11-,13-/m0/s1.
What are the key properties of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 381.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(trifluoromethoxy)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 163441994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).