2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride

C19H15ClFN5O2 — CID 70682030

IUPAC2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride
SMILESCOc1ccncc1NC(=O)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12.Cl
InChIInChI=1S/C19H14FN5O2.ClH/c1-27-15-7-8-21-10-14(15)23-19(26)13-6-9-22-18-16(13)24-17(25-18)11-2-4-12(20)5-3-11;/h2-10H,1H3,(H,23,26)(H,22,24,25);1H
InChIKeyKLFOSJXGMKFCHM-UHFFFAOYSA-N
MW399.81 g/mol
LogP3.84
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride

2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride (PubChem CID 70682030) has the molecular formula C19H15ClFN5O2 and a molecular weight of 399.81 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride
PubChem CID70682030
Molecular FormulaC19H15ClFN5O2
Molecular Weight399.81 g/mol
Exact Mass399.09
IUPAC Name2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride
SMILESCOc1ccncc1NC(=O)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12.Cl
InChIInChI=1S/C19H14FN5O2.ClH/c1-27-15-7-8-21-10-14(15)23-19(26)13-6-9-22-18-16(13)24-17(25-18)11-2-4-12(20)5-3-11;/h2-10H,1H3,(H,23,26)(H,22,24,25);1H
InChIKeyKLFOSJXGMKFCHM-UHFFFAOYSA-N
XLogP3.84
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride (CID 70682030) is 2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride is COc1ccncc1NC(=O)c1ccnc2nc(-c3ccc(F)cc3)[nH]c12.Cl.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride?
The InChIKey is KLFOSJXGMKFCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2.ClH/c1-27-15-7-8-21-10-14(15)23-19(26)13-6-9-22-18-16(13)24-17(25-18)11-2-4-12(20)5-3-11;/h2-10H,1H3,(H,23,26)(H,22,24,25);1H.
What are the key properties of 2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride?
2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride has a molecular weight of 399.81 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-methoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide;hydrochloride is sourced from PubChem (CID 70682030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).