N-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C20H24N6O3 — CID 126834723

IUPACN-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCOCCOc1ccc(NC(=O)N2CCc3[nH]cnc3C2c2ccnn2C)cc1
InChIInChI=1S/C20H24N6O3/c1-25-17(7-9-23-25)19-18-16(21-13-22-18)8-10-26(19)20(27)24-14-3-5-15(6-4-14)29-12-11-28-2/h3-7,9,13,19H,8,10-12H2,1-2H3,(H,21,22)(H,24,27)
InChIKeyVMNSXQHYJOAHRN-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.35
Rot. Bonds6

About N-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

N-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 126834723) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID126834723
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCOCCOc1ccc(NC(=O)N2CCc3[nH]cnc3C2c2ccnn2C)cc1
InChIInChI=1S/C20H24N6O3/c1-25-17(7-9-23-25)19-18-16(21-13-22-18)8-10-26(19)20(27)24-14-3-5-15(6-4-14)29-12-11-28-2/h3-7,9,13,19H,8,10-12H2,1-2H3,(H,21,22)(H,24,27)
InChIKeyVMNSXQHYJOAHRN-UHFFFAOYSA-N
XLogP2.35
TPSA97.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 126834723) is N-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is COCCOc1ccc(NC(=O)N2CCc3[nH]cnc3C2c2ccnn2C)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is VMNSXQHYJOAHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-25-17(7-9-23-25)19-18-16(21-13-22-18)8-10-26(19)20(27)24-14-3-5-15(6-4-14)29-12-11-28-2/h3-7,9,13,19H,8,10-12H2,1-2H3,(H,21,22)(H,24,27).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
N-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 126834723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).