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

C18H20N4OS — CID 52901239

IUPACN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methylindol-1-yl)propanamide
SMILESCc1cccc2c1ccn2CCC(=O)Nc1c2c(nn1C)CSC2
InChIInChI=1S/C18H20N4OS/c1-12-4-3-5-16-13(12)6-8-22(16)9-7-17(23)19-18-14-10-24-11-15(14)20-21(18)2/h3-6,8H,7,9-11H2,1-2H3,(H,19,23)
InChIKeyIXUZBMNDKKBXTP-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.46
Rot. Bonds4

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

N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methylindol-1-yl)propanamide (PubChem CID 52901239) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methylindol-1-yl)propanamide
PubChem CID52901239
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methylindol-1-yl)propanamide
SMILESCc1cccc2c1ccn2CCC(=O)Nc1c2c(nn1C)CSC2
InChIInChI=1S/C18H20N4OS/c1-12-4-3-5-16-13(12)6-8-22(16)9-7-17(23)19-18-14-10-24-11-15(14)20-21(18)2/h3-6,8H,7,9-11H2,1-2H3,(H,19,23)
InChIKeyIXUZBMNDKKBXTP-UHFFFAOYSA-N
XLogP3.46
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methylindol-1-yl)propanamide?
The IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methylindol-1-yl)propanamide (CID 52901239) is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methylindol-1-yl)propanamide.
What is the SMILES notation for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methylindol-1-yl)propanamide?
The canonical SMILES for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methylindol-1-yl)propanamide is Cc1cccc2c1ccn2CCC(=O)Nc1c2c(nn1C)CSC2.
What is the InChIKey of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methylindol-1-yl)propanamide?
The InChIKey is IXUZBMNDKKBXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-4-3-5-16-13(12)6-8-22(16)9-7-17(23)19-18-14-10-24-11-15(14)20-21(18)2/h3-6,8H,7,9-11H2,1-2H3,(H,19,23).
What are the key properties of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methylindol-1-yl)propanamide?
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methylindol-1-yl)propanamide has a molecular weight of 340.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(4-methylindol-1-yl)propanamide is sourced from PubChem (CID 52901239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).