1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C21H17ClN6OS — CID 55515718

IUPAC1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cc4c(C)nn(-c5ccccc5Cl)c4s3)cc12
InChIInChI=1S/C21H17ClN6OS/c1-11-14-8-13(10-23-19(14)27(3)25-11)24-20(29)18-9-15-12(2)26-28(21(15)30-18)17-7-5-4-6-16(17)22/h4-10H,1-3H3,(H,24,29)
InChIKeyJCISIOIOXSVBCO-UHFFFAOYSA-N
MW436.93 g/mol
LogP4.89
Rot. Bonds3

About 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55515718) has the molecular formula C21H17ClN6OS and a molecular weight of 436.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID55515718
Molecular FormulaC21H17ClN6OS
Molecular Weight436.93 g/mol
Exact Mass436.09
IUPAC Name1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)c3cc4c(C)nn(-c5ccccc5Cl)c4s3)cc12
InChIInChI=1S/C21H17ClN6OS/c1-11-14-8-13(10-23-19(14)27(3)25-11)24-20(29)18-9-15-12(2)26-28(21(15)30-18)17-7-5-4-6-16(17)22/h4-10H,1-3H3,(H,24,29)
InChIKeyJCISIOIOXSVBCO-UHFFFAOYSA-N
XLogP4.89
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.93
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-2-carboxamide
CID 31520160
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CID 16546983
1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyrazole-4-carboxamide
CID 49158796
1-(2-chlorophenyl)-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 16603401
1-(2-chlorophenyl)-3-methyl-N-[2-(methylamino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 119503929
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55785532
1-(2-chlorophenyl)-3-methyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 4028773
1-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119509052
N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119617320
ethyl N-[2-[[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]ethyl]carbamate
CID 56557657
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134024964
N-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 55515718) is 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2ncc(NC(=O)c3cc4c(C)nn(-c5ccccc5Cl)c4s3)cc12.
What is the InChIKey of 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is JCISIOIOXSVBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6OS/c1-11-14-8-13(10-23-19(14)27(3)25-11)24-20(29)18-9-15-12(2)26-28(21(15)30-18)17-7-5-4-6-16(17)22/h4-10H,1-3H3,(H,24,29).
What are the key properties of 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 436.93 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55515718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).