2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine

C18H14FN7O2 — CID 70650245

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine
SMILESC[C@@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C18H14FN7O2/c1-11(13-4-2-3-7-20-13)23-18-15(26(27)28)9-22-17(24-18)14-8-21-16-6-5-12(19)10-25(14)16/h2-11H,1H3,(H,22,23,24)/t11-/m1/s1
InChIKeyFGRIVXWIDUCDEV-LLVKDONJSA-N
MW379.36 g/mol
LogP3.41
Rot. Bonds5

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine (PubChem CID 70650245) has the molecular formula C18H14FN7O2 and a molecular weight of 379.36 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine
PubChem CID70650245
Molecular FormulaC18H14FN7O2
Molecular Weight379.36 g/mol
Exact Mass379.12
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine
SMILESC[C@@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C18H14FN7O2/c1-11(13-4-2-3-7-20-13)23-18-15(26(27)28)9-22-17(24-18)14-8-21-16-6-5-12(19)10-25(14)16/h2-11H,1H3,(H,22,23,24)/t11-/m1/s1
InChIKeyFGRIVXWIDUCDEV-LLVKDONJSA-N
XLogP3.41
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine (CID 70650245) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine is C[C@@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ccccn1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine?
The InChIKey is FGRIVXWIDUCDEV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H14FN7O2/c1-11(13-4-2-3-7-20-13)23-18-15(26(27)28)9-22-17(24-18)14-8-21-16-6-5-12(19)10-25(14)16/h2-11H,1H3,(H,22,23,24)/t11-/m1/s1.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine has a molecular weight of 379.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(1R)-1-pyridin-2-ylethyl]pyrimidin-4-amine is sourced from PubChem (CID 70650245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).