2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine

C17H12F2N8O2 — CID 67123963

IUPAC2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine
SMILESC[C@@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ncc(F)cn1
InChIInChI=1S/C17H12F2N8O2/c1-9(15-21-4-11(19)5-22-15)24-17-13(27(28)29)7-23-16(25-17)12-6-20-14-3-2-10(18)8-26(12)14/h2-9H,1H3,(H,23,24,25)/t9-/m1/s1
InChIKeyUGJFRJSXMXOFGJ-SECBINFHSA-N
MW398.33 g/mol
LogP2.94
Rot. Bonds5

About 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine (PubChem CID 67123963) has the molecular formula C17H12F2N8O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine
PubChem CID67123963
Molecular FormulaC17H12F2N8O2
Molecular Weight398.33 g/mol
Exact Mass398.11
IUPAC Name2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine
SMILESC[C@@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ncc(F)cn1
InChIInChI=1S/C17H12F2N8O2/c1-9(15-21-4-11(19)5-22-15)24-17-13(27(28)29)7-23-16(25-17)12-6-20-14-3-2-10(18)8-26(12)14/h2-9H,1H3,(H,23,24,25)/t9-/m1/s1
InChIKeyUGJFRJSXMXOFGJ-SECBINFHSA-N
XLogP2.94
TPSA124.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(1-methoxypropan-2-yl)-5-nitropyrimidin-4-amine
CID 67124099
3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]amino]butanoic acid
CID 67123907
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;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)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrimidine-4,5-diamine;(1R)-1-pyridin-2-ylethanamine
CID 161460504
5-nitro-N-[(1S)-1-phenylethyl]-2-(6-prop-2-enylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine
CID 163423914
ethyl 4-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]amino]cyclohexane-1-carboxylate
CID 67123862
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one
CID 56592814
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[(1S)-1-(4-fluorophenyl)butyl]amino]pyrimidine-5-carboxamide
CID 67257229
(2R)-2-[1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]ethyl]-3,3-dimethylbutanoic acid
CID 89486080
3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile
CID 161246174
2-(6-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine
CID 163522607
(3R)-3-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]butanamide
CID 67124089
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 118164228

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine (CID 67123963) is 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine is C[C@@H](Nc1nc(-c2cnc3ccc(F)cn23)ncc1[N+](=O)[O-])c1ncc(F)cn1.
What is the InChIKey of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine?
The InChIKey is UGJFRJSXMXOFGJ-SECBINFHSA-N. The full InChI is InChI=1S/C17H12F2N8O2/c1-9(15-21-4-11(19)5-22-15)24-17-13(27(28)29)7-23-16(25-17)12-6-20-14-3-2-10(18)8-26(12)14/h2-9H,1H3,(H,23,24,25)/t9-/m1/s1.
What are the key properties of 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine?
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine has a molecular weight of 398.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 67123963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).