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

C16H16FN7O2 — CID 86692672

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESO=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1N[C@@H]1CCCNC1
InChIInChI=1S/C16H16FN7O2/c17-10-3-4-14-19-7-12(23(14)9-10)15-20-8-13(24(25)26)16(22-15)21-11-2-1-5-18-6-11/h3-4,7-9,11,18H,1-2,5-6H2,(H,20,21,22)/t11-/m1/s1
InChIKeyAQKRRICWFRKEBJ-LLVKDONJSA-N
MW357.35 g/mol
LogP2.00
Rot. Bonds4

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

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 86692672) has the molecular formula C16H16FN7O2 and a molecular weight of 357.35 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
PubChem CID86692672
Molecular FormulaC16H16FN7O2
Molecular Weight357.35 g/mol
Exact Mass357.13
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESO=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1N[C@@H]1CCCNC1
InChIInChI=1S/C16H16FN7O2/c17-10-3-4-14-19-7-12(23(14)9-10)15-20-8-13(24(25)26)16(22-15)21-11-2-1-5-18-6-11/h3-4,7-9,11,18H,1-2,5-6H2,(H,20,21,22)/t11-/m1/s1
InChIKeyAQKRRICWFRKEBJ-LLVKDONJSA-N
XLogP2.00
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
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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Related Compounds

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CID 90183560
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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-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine (CID 86692672) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine is O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1N[C@@H]1CCCNC1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is AQKRRICWFRKEBJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16FN7O2/c17-10-3-4-14-19-7-12(23(14)9-10)15-20-8-13(24(25)26)16(22-15)21-11-2-1-5-18-6-11/h3-4,7-9,11,18H,1-2,5-6H2,(H,20,21,22)/t11-/m1/s1.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 357.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 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-[(3R)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 86692672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).