5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine

C26H22F2N6 — CID 66679511

IUPAC5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine
SMILESCc1cn(-c2ccc(Nc3cc(C4CC4)nc4c3nc(-c3ccc(F)cc3)n4C)cc2F)cn1
InChIInChI=1S/C26H22F2N6/c1-15-13-34(14-29-15)23-10-9-19(11-20(23)28)30-22-12-21(16-3-4-16)31-26-24(22)32-25(33(26)2)17-5-7-18(27)8-6-17/h5-14,16H,3-4H2,1-2H3,(H,30,31)
InChIKeyRFFYRWKAJCVCTB-UHFFFAOYSA-N
MW456.50 g/mol
LogP6.03
Rot. Bonds5

About 5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine

5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine (PubChem CID 66679511) has the molecular formula C26H22F2N6 and a molecular weight of 456.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine
PubChem CID66679511
Molecular FormulaC26H22F2N6
Molecular Weight456.50 g/mol
Exact Mass456.19
IUPAC Name5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine
SMILESCc1cn(-c2ccc(Nc3cc(C4CC4)nc4c3nc(-c3ccc(F)cc3)n4C)cc2F)cn1
InChIInChI=1S/C26H22F2N6/c1-15-13-34(14-29-15)23-10-9-19(11-20(23)28)30-22-12-21(16-3-4-16)31-26-24(22)32-25(33(26)2)17-5-7-18(27)8-6-17/h5-14,16H,3-4H2,1-2H3,(H,30,31)
InChIKeyRFFYRWKAJCVCTB-UHFFFAOYSA-N
XLogP6.03
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine (CID 66679511) is 5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine is Cc1cn(-c2ccc(Nc3cc(C4CC4)nc4c3nc(-c3ccc(F)cc3)n4C)cc2F)cn1.
What is the InChIKey of 5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine?
The InChIKey is RFFYRWKAJCVCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6/c1-15-13-34(14-29-15)23-10-9-19(11-20(23)28)30-22-12-21(16-3-4-16)31-26-24(22)32-25(33(26)2)17-5-7-18(27)8-6-17/h5-14,16H,3-4H2,1-2H3,(H,30,31).
What are the key properties of 5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine?
5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine has a molecular weight of 456.50 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 66679511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).