1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide

C22H28N6O — CID 126778339

IUPAC1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
SMILESCc1ccc(-n2nc(NC(=O)N3CCc4c(nc(C(C)C)n4C)C3)cc2C)cc1
InChIInChI=1S/C22H28N6O/c1-14(2)21-23-18-13-27(11-10-19(18)26(21)5)22(29)24-20-12-16(4)28(25-20)17-8-6-15(3)7-9-17/h6-9,12,14H,10-11,13H2,1-5H3,(H,24,25,29)
InChIKeyDHKGHBDASOCZKK-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.94
Rot. Bonds3

About 1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide

1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 126778339) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
PubChem CID126778339
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
SMILESCc1ccc(-n2nc(NC(=O)N3CCc4c(nc(C(C)C)n4C)C3)cc2C)cc1
InChIInChI=1S/C22H28N6O/c1-14(2)21-23-18-13-27(11-10-19(18)26(21)5)22(29)24-20-12-16(4)28(25-20)17-8-6-15(3)7-9-17/h6-9,12,14H,10-11,13H2,1-5H3,(H,24,25,29)
InChIKeyDHKGHBDASOCZKK-UHFFFAOYSA-N
XLogP3.94
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide (CID 126778339) is 1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide is Cc1ccc(-n2nc(NC(=O)N3CCc4c(nc(C(C)C)n4C)C3)cc2C)cc1.
What is the InChIKey of 1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is DHKGHBDASOCZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-14(2)21-23-18-13-27(11-10-19(18)26(21)5)22(29)24-20-12-16(4)28(25-20)17-8-6-15(3)7-9-17/h6-9,12,14H,10-11,13H2,1-5H3,(H,24,25,29).
What are the key properties of 1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 126778339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).