N-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

C21H18FN5O2 — CID 16654938

IUPACN-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCCOc1cc(C)ncc1NC(=O)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C21H18FN5O2/c1-3-29-17-10-12(2)24-11-16(17)25-21(28)15-8-9-23-20-18(15)26-19(27-20)13-4-6-14(22)7-5-13/h4-11H,3H2,1-2H3,(H,25,28)(H,23,26,27)
InChIKeyHKHOYPXHOPLHBH-UHFFFAOYSA-N
MW391.41 g/mol
LogP4.12
Rot. Bonds5

About N-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

N-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 16654938) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is N-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID16654938
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC NameN-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCCOc1cc(C)ncc1NC(=O)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C21H18FN5O2/c1-3-29-17-10-12(2)24-11-16(17)25-21(28)15-8-9-23-20-18(15)26-19(27-20)13-4-6-14(22)7-5-13/h4-11H,3H2,1-2H3,(H,25,28)(H,23,26,27)
InChIKeyHKHOYPXHOPLHBH-UHFFFAOYSA-N
XLogP4.12
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 16654938) is N-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is CCOc1cc(C)ncc1NC(=O)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12.
What is the InChIKey of N-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is HKHOYPXHOPLHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-3-29-17-10-12(2)24-11-16(17)25-21(28)15-8-9-23-20-18(15)26-19(27-20)13-4-6-14(22)7-5-13/h4-11H,3H2,1-2H3,(H,25,28)(H,23,26,27).
What are the key properties of N-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-6-methyl-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 16654938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).