N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide

C17H18N4OS — CID 166261577

IUPACN-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
SMILESCn1cc2ccc(CNC(=O)c3cc4c(s3)CNCC4)cc2n1
InChIInChI=1S/C17H18N4OS/c1-21-10-13-3-2-11(6-14(13)20-21)8-19-17(22)15-7-12-4-5-18-9-16(12)23-15/h2-3,6-7,10,18H,4-5,8-9H2,1H3,(H,19,22)
InChIKeyDUQVVVFAWVCZGL-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.21
Rot. Bonds3

About N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide

N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide (PubChem CID 166261577) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
PubChem CID166261577
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide
SMILESCn1cc2ccc(CNC(=O)c3cc4c(s3)CNCC4)cc2n1
InChIInChI=1S/C17H18N4OS/c1-21-10-13-3-2-11(6-14(13)20-21)8-19-17(22)15-7-12-4-5-18-9-16(12)23-15/h2-3,6-7,10,18H,4-5,8-9H2,1H3,(H,19,22)
InChIKeyDUQVVVFAWVCZGL-UHFFFAOYSA-N
XLogP2.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide (CID 166261577) is N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide is Cn1cc2ccc(CNC(=O)c3cc4c(s3)CNCC4)cc2n1.
What is the InChIKey of N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is DUQVVVFAWVCZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-21-10-13-3-2-11(6-14(13)20-21)8-19-17(22)15-7-12-4-5-18-9-16(12)23-15/h2-3,6-7,10,18H,4-5,8-9H2,1H3,(H,19,22).
What are the key properties of N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide?
N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylindazol-6-yl)methyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 166261577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).