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

C20H24FN5 — CID 163974714

IUPAC6-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESCC(C)(C)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1
InChIInChI=1S/C20H24FN5/c1-20(2,3)13-7-8-19-23-11-17(26(19)12-13)15-5-4-6-18(24-15)25-16-10-22-9-14(16)21/h4-8,11-12,14,16,22H,9-10H2,1-3H3,(H,24,25)/t14-,16-/m0/s1
InChIKeySTCDSEJQOLKGFJ-HOCLYGCPSA-N
MW353.44 g/mol
LogP3.42
Rot. Bonds3

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

6-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (PubChem CID 163974714) has the molecular formula C20H24FN5 and a molecular weight of 353.44 g/mol. Its IUPAC name is 6-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
PubChem CID163974714
Molecular FormulaC20H24FN5
Molecular Weight353.44 g/mol
Exact Mass353.20
IUPAC Name6-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESCC(C)(C)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1
InChIInChI=1S/C20H24FN5/c1-20(2,3)13-7-8-19-23-11-17(26(19)12-13)15-5-4-6-18(24-15)25-16-10-22-9-14(16)21/h4-8,11-12,14,16,22H,9-10H2,1-3H3,(H,24,25)/t14-,16-/m0/s1
InChIKeySTCDSEJQOLKGFJ-HOCLYGCPSA-N
XLogP3.42
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (CID 163974714) is 6-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is CC(C)(C)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1.
What is the InChIKey of 6-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is STCDSEJQOLKGFJ-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H24FN5/c1-20(2,3)13-7-8-19-23-11-17(26(19)12-13)15-5-4-6-18(24-15)25-16-10-22-9-14(16)21/h4-8,11-12,14,16,22H,9-10H2,1-3H3,(H,24,25)/t14-,16-/m0/s1.
What are the key properties of 6-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
6-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 353.44 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-tert-butylimidazo[1,2-a]pyridin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 163974714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).