N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H25ClN6OS — CID 35357579

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cc(Cl)ccc3N3CCN(C)CC3)c12
InChIInChI=1S/C24H25ClN6OS/c1-15-22-17(14-19(21-5-4-12-33-21)26-23(22)30(3)28-15)24(32)27-18-13-16(25)6-7-20(18)31-10-8-29(2)9-11-31/h4-7,12-14H,8-11H2,1-3H3,(H,27,32)
InChIKeyDOMLAPUKVDCFFW-UHFFFAOYSA-N
MW481.03 g/mol
LogP4.66
Rot. Bonds4

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 35357579) has the molecular formula C24H25ClN6OS and a molecular weight of 481.03 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID35357579
Molecular FormulaC24H25ClN6OS
Molecular Weight481.03 g/mol
Exact Mass480.15
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cc(Cl)ccc3N3CCN(C)CC3)c12
InChIInChI=1S/C24H25ClN6OS/c1-15-22-17(14-19(21-5-4-12-33-21)26-23(22)30(3)28-15)24(32)27-18-13-16(25)6-7-20(18)31-10-8-29(2)9-11-31/h4-7,12-14H,8-11H2,1-3H3,(H,27,32)
InChIKeyDOMLAPUKVDCFFW-UHFFFAOYSA-N
XLogP4.66
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.03
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-chloro-5-(propanoylamino)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55799425
N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110001025
N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55782879
N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56518414
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112809499
1,3-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822456
1,3-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42939314
1,3-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60616772
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32903006
1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55905280
N-(5-chloro-2-morpholin-4-ylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 18206899
N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823072

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 35357579) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cc(Cl)ccc3N3CCN(C)CC3)c12.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DOMLAPUKVDCFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6OS/c1-15-22-17(14-19(21-5-4-12-33-21)26-23(22)30(3)28-15)24(32)27-18-13-16(25)6-7-20(18)31-10-8-29(2)9-11-31/h4-7,12-14H,8-11H2,1-3H3,(H,27,32).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 481.03 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 35357579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).