N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H20ClN5OS — CID 31870894

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)c12
InChIInChI=1S/C22H20ClN5OS/c1-12-19-17(10-18(14-6-7-14)25-20(19)28(2)27-12)21(29)26-22-24-11-16(30-22)9-13-4-3-5-15(23)8-13/h3-5,8,10-11,14H,6-7,9H2,1-2H3,(H,24,26,29)
InChIKeyOPTANJDSKUEVDK-UHFFFAOYSA-N
MW437.96 g/mol
LogP5.11
Rot. Bonds5

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 31870894) has the molecular formula C22H20ClN5OS and a molecular weight of 437.96 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID31870894
Molecular FormulaC22H20ClN5OS
Molecular Weight437.96 g/mol
Exact Mass437.11
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)c12
InChIInChI=1S/C22H20ClN5OS/c1-12-19-17(10-18(14-6-7-14)25-20(19)28(2)27-12)21(29)26-22-24-11-16(30-22)9-13-4-3-5-15(23)8-13/h3-5,8,10-11,14H,6-7,9H2,1-2H3,(H,24,26,29)
InChIKeyOPTANJDSKUEVDK-UHFFFAOYSA-N
XLogP5.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.96
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-1,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31266028
6-cyclopropyl-N-(3,5-dichloro-2-pyridinyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35337408
N-(5-benzyl-1,3-thiazol-2-yl)-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9464192
6-cyclopropyl-1,3-dimethyl-N-(3-methyl-2-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31769500
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(4-methylphenyl)furan-3-carboxamide
CID 16650782
6-cyclopropyl-N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38398974
6-cyclopropyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55513700
6-cyclopropyl-N-(3-ethynylphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43046709
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 30174224
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18809232
6-cyclopropyl-N-(1-ethyl-5-methylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823436
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 112809110

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 31870894) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)c12.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is OPTANJDSKUEVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5OS/c1-12-19-17(10-18(14-6-7-14)25-20(19)28(2)27-12)21(29)26-22-24-11-16(30-22)9-13-4-3-5-15(23)8-13/h3-5,8,10-11,14H,6-7,9H2,1-2H3,(H,24,26,29).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 437.96 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 31870894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).