6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide

C29H23FN6O2 — CID 70941712

IUPAC6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC=CC(F)(Cc2ccccc2)C1n1c(-c2cccnc2N)nc2ccc(-c3ccoc3)nc21
InChIInChI=1S/C29H23FN6O2/c30-29(16-18-6-2-1-3-7-18)13-4-8-20(26(32)37)24(29)36-27(21-9-5-14-33-25(21)31)35-23-11-10-22(34-28(23)36)19-12-15-38-17-19/h1-15,17,24H,16H2,(H2,31,33)(H2,32,37)
InChIKeyBIPJLXOXVIBXFZ-UHFFFAOYSA-N
MW506.54 g/mol
LogP4.81
Rot. Bonds6

About 6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide

6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide (PubChem CID 70941712) has the molecular formula C29H23FN6O2 and a molecular weight of 506.54 g/mol. Its IUPAC name is 6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide
PubChem CID70941712
Molecular FormulaC29H23FN6O2
Molecular Weight506.54 g/mol
Exact Mass506.19
IUPAC Name6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC=CC(F)(Cc2ccccc2)C1n1c(-c2cccnc2N)nc2ccc(-c3ccoc3)nc21
InChIInChI=1S/C29H23FN6O2/c30-29(16-18-6-2-1-3-7-18)13-4-8-20(26(32)37)24(29)36-27(21-9-5-14-33-25(21)31)35-23-11-10-22(34-28(23)36)19-12-15-38-17-19/h1-15,17,24H,16H2,(H2,31,33)(H2,32,37)
InChIKeyBIPJLXOXVIBXFZ-UHFFFAOYSA-N
XLogP4.81
TPSA125.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.54
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide (CID 70941712) is 6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide is NC(=O)C1=CC=CC(F)(Cc2ccccc2)C1n1c(-c2cccnc2N)nc2ccc(-c3ccoc3)nc21.
What is the InChIKey of 6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide?
The InChIKey is BIPJLXOXVIBXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN6O2/c30-29(16-18-6-2-1-3-7-18)13-4-8-20(26(32)37)24(29)36-27(21-9-5-14-33-25(21)31)35-23-11-10-22(34-28(23)36)19-12-15-38-17-19/h1-15,17,24H,16H2,(H2,31,33)(H2,32,37).
What are the key properties of 6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide?
6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide has a molecular weight of 506.54 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-amino-3-pyridinyl)-5-(furan-3-yl)imidazo[4,5-b]pyridin-3-yl]-5-benzyl-5-fluorocyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 70941712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).