6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine

C18H12F2N6O2 — CID 66614077

IUPAC6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine
SMILESNc1nc(-n2nc(Cc3ccccc3F)c3ncc(F)cc32)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H12F2N6O2/c19-11-8-15-17(22-9-11)13(7-10-3-1-2-4-12(10)20)24-25(15)16-6-5-14(26(27)28)18(21)23-16/h1-6,8-9H,7H2,(H2,21,23)
InChIKeyVDNUSPJOJNMRRK-UHFFFAOYSA-N
MW382.33 g/mol
LogP3.17
Rot. Bonds4

About 6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine

6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine (PubChem CID 66614077) has the molecular formula C18H12F2N6O2 and a molecular weight of 382.33 g/mol. Its IUPAC name is 6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine
PubChem CID66614077
Molecular FormulaC18H12F2N6O2
Molecular Weight382.33 g/mol
Exact Mass382.10
IUPAC Name6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine
SMILESNc1nc(-n2nc(Cc3ccccc3F)c3ncc(F)cc32)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H12F2N6O2/c19-11-8-15-17(22-9-11)13(7-10-3-1-2-4-12(10)20)24-25(15)16-6-5-14(26(27)28)18(21)23-16/h1-6,8-9H,7H2,(H2,21,23)
InChIKeyVDNUSPJOJNMRRK-UHFFFAOYSA-N
XLogP3.17
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine?
The IUPAC name of 6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine (CID 66614077) is 6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine is Nc1nc(-n2nc(Cc3ccccc3F)c3ncc(F)cc32)ccc1[N+](=O)[O-].
What is the InChIKey of 6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine?
The InChIKey is VDNUSPJOJNMRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N6O2/c19-11-8-15-17(22-9-11)13(7-10-3-1-2-4-12(10)20)24-25(15)16-6-5-14(26(27)28)18(21)23-16/h1-6,8-9H,7H2,(H2,21,23).
What are the key properties of 6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine?
6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine has a molecular weight of 382.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-3-nitropyridin-2-amine is sourced from PubChem (CID 66614077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).