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

C16H15ClFN5 — CID 166961766

IUPAC6-(7-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESF[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cc(Cl)ccn23)n1
InChIInChI=1S/C16H15ClFN5/c17-10-4-5-23-14(9-20-16(23)6-10)12-2-1-3-15(21-12)22-13-8-19-7-11(13)18/h1-6,9,11,13,19H,7-8H2,(H,21,22)/t11-,13-/m0/s1
InChIKeyHXUCFPZSRWJRRN-AAEUAGOBSA-N
MW331.78 g/mol
LogP2.77
Rot. Bonds3

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

6-(7-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (PubChem CID 166961766) has the molecular formula C16H15ClFN5 and a molecular weight of 331.78 g/mol. Its IUPAC name is 6-(7-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-(7-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
PubChem CID166961766
Molecular FormulaC16H15ClFN5
Molecular Weight331.78 g/mol
Exact Mass331.10
IUPAC Name6-(7-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESF[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cc(Cl)ccn23)n1
InChIInChI=1S/C16H15ClFN5/c17-10-4-5-23-14(9-20-16(23)6-10)12-2-1-3-15(21-12)22-13-8-19-7-11(13)18/h1-6,9,11,13,19H,7-8H2,(H,21,22)/t11-,13-/m0/s1
InChIKeyHXUCFPZSRWJRRN-AAEUAGOBSA-N
XLogP2.77
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(7-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-(7-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (CID 166961766) is 6-(7-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-(7-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-(7-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is F[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cc(Cl)ccn23)n1.
What is the InChIKey of 6-(7-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is HXUCFPZSRWJRRN-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H15ClFN5/c17-10-4-5-23-14(9-20-16(23)6-10)12-2-1-3-15(21-12)22-13-8-19-7-11(13)18/h1-6,9,11,13,19H,7-8H2,(H,21,22)/t11-,13-/m0/s1.
What are the key properties of 6-(7-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
6-(7-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 331.78 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).