4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide

C24H27N5OS — CID 20948437

IUPAC4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
SMILESCSc1ccc(CNC(=O)CCCn2nc(-n3cccc3)c3c(C)cc(C)nc32)cc1
InChIInChI=1S/C24H27N5OS/c1-17-15-18(2)26-23-22(17)24(28-12-4-5-13-28)27-29(23)14-6-7-21(30)25-16-19-8-10-20(31-3)11-9-19/h4-5,8-13,15H,6-7,14,16H2,1-3H3,(H,25,30)
InChIKeyMZWQFLZRXAFISD-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.66
Rot. Bonds8

About 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide

4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide (PubChem CID 20948437) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
PubChem CID20948437
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC Name4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
SMILESCSc1ccc(CNC(=O)CCCn2nc(-n3cccc3)c3c(C)cc(C)nc32)cc1
InChIInChI=1S/C24H27N5OS/c1-17-15-18(2)26-23-22(17)24(28-12-4-5-13-28)27-29(23)14-6-7-21(30)25-16-19-8-10-20(31-3)11-9-19/h4-5,8-13,15H,6-7,14,16H2,1-3H3,(H,25,30)
InChIKeyMZWQFLZRXAFISD-UHFFFAOYSA-N
XLogP4.66
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide
CID 20948419
4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide
CID 46340909
N-(3-chlorophenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
CID 46340878
N-[(4-chlorophenyl)methyl]-4-[(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)methyl]benzamide
CID 20948443
N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
CID 20948423
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 20948320
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 20948383
4-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46328024
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)methyl]benzamide
CID 20948472
2-(7-methyl-3-oxo-5-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 53156630
N-[2-(4-methylsulfanylphenyl)ethyl]-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide
CID 23603039
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 20948279

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide?
The IUPAC name of 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide (CID 20948437) is 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide?
The canonical SMILES for 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide is CSc1ccc(CNC(=O)CCCn2nc(-n3cccc3)c3c(C)cc(C)nc32)cc1.
What is the InChIKey of 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide?
The InChIKey is MZWQFLZRXAFISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-17-15-18(2)26-23-22(17)24(28-12-4-5-13-28)27-29(23)14-6-7-21(30)25-16-19-8-10-20(31-3)11-9-19/h4-5,8-13,15H,6-7,14,16H2,1-3H3,(H,25,30).
What are the key properties of 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide?
4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide has a molecular weight of 433.58 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide is sourced from PubChem (CID 20948437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).