1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide

C23H23ClN6OS — CID 16606382

IUPAC1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)cc12
InChIInChI=1S/C23H23ClN6OS/c1-15-17-13-20(32-23(17)30(27-15)19-6-4-3-5-18(19)24)22(31)26-16-7-8-21(25-14-16)29-11-9-28(2)10-12-29/h3-8,13-14H,9-12H2,1-2H3,(H,26,31)
InChIKeyGEAATDMNEXALPE-UHFFFAOYSA-N
MW467.00 g/mol
LogP4.45
Rot. Bonds4

About 1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide

1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 16606382) has the molecular formula C23H23ClN6OS and a molecular weight of 467.00 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID16606382
Molecular FormulaC23H23ClN6OS
Molecular Weight467.00 g/mol
Exact Mass466.13
IUPAC Name1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)cc12
InChIInChI=1S/C23H23ClN6OS/c1-15-17-13-20(32-23(17)30(27-15)19-6-4-3-5-18(19)24)22(31)26-16-7-8-21(25-14-16)29-11-9-28(2)10-12-29/h3-8,13-14H,9-12H2,1-2H3,(H,26,31)
InChIKeyGEAATDMNEXALPE-UHFFFAOYSA-N
XLogP4.45
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.00
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 16606382) is 1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)cc12.
What is the InChIKey of 1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is GEAATDMNEXALPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6OS/c1-15-17-13-20(32-23(17)30(27-15)19-6-4-3-5-18(19)24)22(31)26-16-7-8-21(25-14-16)29-11-9-28(2)10-12-29/h3-8,13-14H,9-12H2,1-2H3,(H,26,31).
What are the key properties of 1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide?
1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 467.00 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 16606382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).