1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide

C16H16N4OS — CID 53370102

IUPAC1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide
SMILESCn1nc2c(c1NC(=O)c1cn(C)c3ccccc13)CSC2
InChIInChI=1S/C16H16N4OS/c1-19-7-11(10-5-3-4-6-14(10)19)16(21)17-15-12-8-22-9-13(12)18-20(15)2/h3-7H,8-9H2,1-2H3,(H,17,21)
InChIKeyVTYZRTNKLMJPCX-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.91
Rot. Bonds2

About 1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide

1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide (PubChem CID 53370102) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide
PubChem CID53370102
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide
SMILESCn1nc2c(c1NC(=O)c1cn(C)c3ccccc13)CSC2
InChIInChI=1S/C16H16N4OS/c1-19-7-11(10-5-3-4-6-14(10)19)16(21)17-15-12-8-22-9-13(12)18-20(15)2/h3-7H,8-9H2,1-2H3,(H,17,21)
InChIKeyVTYZRTNKLMJPCX-UHFFFAOYSA-N
XLogP2.91
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24791554
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CID 24793921
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CID 162428668
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CID 1263279
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CID 17393600

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide (CID 53370102) is 1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide is Cn1nc2c(c1NC(=O)c1cn(C)c3ccccc13)CSC2.
What is the InChIKey of 1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide?
The InChIKey is VTYZRTNKLMJPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-19-7-11(10-5-3-4-6-14(10)19)16(21)17-15-12-8-22-9-13(12)18-20(15)2/h3-7H,8-9H2,1-2H3,(H,17,21).
What are the key properties of 1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide?
1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)indole-3-carboxamide is sourced from PubChem (CID 53370102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).