4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

C33H30FN7 — CID 126495020

IUPAC4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCCc1cc(-c2cnn(C)c2)cc(F)c1N(C)c1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C33H30FN7/c1-5-22-16-25(26-19-36-40(3)20-26)17-27(34)32(22)41(4)29-18-28-31(35-21-39(28)2)33(37-29)38-30(23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-21H,5H2,1-4H3
InChIKeyHRANEZFNBJIXDZ-UHFFFAOYSA-N
MW543.65 g/mol
LogP7.01
Rot. Bonds7

About 4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 126495020) has the molecular formula C33H30FN7 and a molecular weight of 543.65 g/mol. Its IUPAC name is 4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
PubChem CID126495020
Molecular FormulaC33H30FN7
Molecular Weight543.65 g/mol
Exact Mass543.25
IUPAC Name4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCCc1cc(-c2cnn(C)c2)cc(F)c1N(C)c1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C33H30FN7/c1-5-22-16-25(26-19-36-40(3)20-26)17-27(34)32(22)41(4)29-18-28-31(35-21-39(28)2)33(37-29)38-30(23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-21H,5H2,1-4H3
InChIKeyHRANEZFNBJIXDZ-UHFFFAOYSA-N
XLogP7.01
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.65
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 126495020) is 4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CCc1cc(-c2cnn(C)c2)cc(F)c1N(C)c1cc2c(ncn2C)c(N=C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is HRANEZFNBJIXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30FN7/c1-5-22-16-25(26-19-36-40(3)20-26)17-27(34)32(22)41(4)29-18-28-31(35-21-39(28)2)33(37-29)38-30(23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-21H,5H2,1-4H3.
What are the key properties of 4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 543.65 g/mol, XLogP of 7.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylideneamino)-N-[2-ethyl-6-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 126495020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).