N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H25ClN4OS — CID 16605036

IUPACN-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(C)Cc3cccc(Cl)c3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C24H25ClN4OS/c1-14(2)29-23-21(12-26-29)20(11-22(27-23)19-9-15(3)31-16(19)4)24(30)28(5)13-17-7-6-8-18(25)10-17/h6-12,14H,13H2,1-5H3
InChIKeyHTGNGVIOTDBPBK-UHFFFAOYSA-N
MW453.01 g/mol
LogP6.28
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 16605036) has the molecular formula C24H25ClN4OS and a molecular weight of 453.01 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID16605036
Molecular FormulaC24H25ClN4OS
Molecular Weight453.01 g/mol
Exact Mass452.14
IUPAC NameN-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(C)Cc3cccc(Cl)c3)c3cnn(C(C)C)c3n2)c(C)s1
InChIInChI=1S/C24H25ClN4OS/c1-14(2)29-23-21(12-26-29)20(11-22(27-23)19-9-15(3)31-16(19)4)24(30)28(5)13-17-7-6-8-18(25)10-17/h6-12,14H,13H2,1-5H3
InChIKeyHTGNGVIOTDBPBK-UHFFFAOYSA-N
XLogP6.28
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.01
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyanophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 39861508
6-(2,5-dimethylthiophen-3-yl)-N,N-dimethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 18149001
6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24590843
6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 60597428
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46541708
N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86914630
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55360983
N-[(4-methoxyphenyl)methyl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30085573
N-(4,5-dihydro-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25474467
N-tert-butyl-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55508159
6-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24590805
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35745108

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 16605036) is N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)N(C)Cc3cccc(Cl)c3)c3cnn(C(C)C)c3n2)c(C)s1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HTGNGVIOTDBPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4OS/c1-14(2)29-23-21(12-26-29)20(11-22(27-23)19-9-15(3)31-16(19)4)24(30)28(5)13-17-7-6-8-18(25)10-17/h6-12,14H,13H2,1-5H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 453.01 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-(2,5-dimethylthiophen-3-yl)-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16605036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).