N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide

C18H23N3OS — CID 20948522

IUPACN-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCCC2)c2c1-c1ccsc1CC2
InChIInChI=1S/C18H23N3OS/c1-21-17-13-10-11-23-15(13)9-8-14(17)16(20-21)18(22)19-12-6-4-2-3-5-7-12/h10-12H,2-9H2,1H3,(H,19,22)
InChIKeyAKJKUDQRTKXMLR-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.70
Rot. Bonds2

About N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide

N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide (PubChem CID 20948522) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
PubChem CID20948522
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCCC2)c2c1-c1ccsc1CC2
InChIInChI=1S/C18H23N3OS/c1-21-17-13-10-11-23-15(13)9-8-14(17)16(20-21)18(22)19-12-6-4-2-3-5-7-12/h10-12H,2-9H2,1H3,(H,19,22)
InChIKeyAKJKUDQRTKXMLR-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 93068839
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 93068846
N-cycloheptyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517052
N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 20948598
N-cyclopentyl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943609
1-methyl-N-(3-morpholin-4-ylpropyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 46340969
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130
4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide
CID 19266124
[1-(2,2-dimethylcyclohexyl)-4,5-dihydrothieno[2,3-g]indazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 146303034
N-cyclopentyl-1-methyl-5-(4-piperidin-1-ylbenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26228822
1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide
CID 103118179
N-cyclohexyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 22427633

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide (CID 20948522) is N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide is Cn1nc(C(=O)NC2CCCCCC2)c2c1-c1ccsc1CC2.
What is the InChIKey of N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The InChIKey is AKJKUDQRTKXMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-21-17-13-10-11-23-15(13)9-8-14(17)16(20-21)18(22)19-12-6-4-2-3-5-7-12/h10-12H,2-9H2,1H3,(H,19,22).
What are the key properties of N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide is sourced from PubChem (CID 20948522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).