4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine

C26H21FN6 — CID 126494991

IUPAC4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine
SMILESCc1cc(F)ncc1Nc1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C26H21FN6/c1-17-13-22(27)28-15-20(17)30-23-14-21-25(29-16-33(21)2)26(31-23)32-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,30,31)
InChIKeyHKRLGEQKGFWPMY-UHFFFAOYSA-N
MW436.49 g/mol
LogP5.72
Rot. Bonds5

About 4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine

4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine (PubChem CID 126494991) has the molecular formula C26H21FN6 and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine
PubChem CID126494991
Molecular FormulaC26H21FN6
Molecular Weight436.49 g/mol
Exact Mass436.18
IUPAC Name4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine
SMILESCc1cc(F)ncc1Nc1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C26H21FN6/c1-17-13-22(27)28-15-20(17)30-23-14-21-25(29-16-33(21)2)26(31-23)32-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,30,31)
InChIKeyHKRLGEQKGFWPMY-UHFFFAOYSA-N
XLogP5.72
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine (CID 126494991) is 4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine is Cc1cc(F)ncc1Nc1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is HKRLGEQKGFWPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN6/c1-17-13-22(27)28-15-20(17)30-23-14-21-25(29-16-33(21)2)26(31-23)32-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,30,31).
What are the key properties of 4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine?
4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 436.49 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylideneamino)-N-(6-fluoro-4-methyl-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 126494991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).