N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H21ClN4OS — CID 55360983

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)N(C)Cc3ccc(Cl)s3)cc(-c3ccccc3)nc21
InChIInChI=1S/C22H21ClN4OS/c1-14(2)27-21-18(12-24-27)17(11-19(25-21)15-7-5-4-6-8-15)22(28)26(3)13-16-9-10-20(23)29-16/h4-12,14H,13H2,1-3H3
InChIKeyNTTIIWRSKQAQBW-UHFFFAOYSA-N
MW424.96 g/mol
LogP5.67
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55360983) has the molecular formula C22H21ClN4OS and a molecular weight of 424.96 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55360983
Molecular FormulaC22H21ClN4OS
Molecular Weight424.96 g/mol
Exact Mass424.11
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)N(C)Cc3ccc(Cl)s3)cc(-c3ccccc3)nc21
InChIInChI=1S/C22H21ClN4OS/c1-14(2)27-21-18(12-24-27)17(11-19(25-21)15-7-5-4-6-8-15)22(28)26(3)13-16-9-10-20(23)29-16/h4-12,14H,13H2,1-3H3
InChIKeyNTTIIWRSKQAQBW-UHFFFAOYSA-N
XLogP5.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.96
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31849649
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55358361
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120519941
N-[(2-chlorophenyl)methyl]-6-(2,5-dimethylfuran-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18283947
N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 29496253
N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16605036
N-(4-carbamoylphenyl)-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55904592
6-phenyl-1-propan-2-yl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27741134
N-benzyl-6-cyclopropyl-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 27665854
propan-2-yl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46538389
N-(2-anilino-2-oxoethyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46418435

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55360983) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)N(C)Cc3ccc(Cl)s3)cc(-c3ccccc3)nc21.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NTTIIWRSKQAQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4OS/c1-14(2)27-21-18(12-24-27)17(11-19(25-21)15-7-5-4-6-8-15)22(28)26(3)13-16-9-10-20(23)29-16/h4-12,14H,13H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 424.96 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55360983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).