1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine

C17H22N4S — CID 45183884

IUPAC1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESc1ccc(-n2ncc3c2CCCC3NC2CCSCC2)nc1
InChIInChI=1S/C17H22N4S/c1-2-9-18-17(6-1)21-16-5-3-4-15(14(16)12-19-21)20-13-7-10-22-11-8-13/h1-2,6,9,12-13,15,20H,3-5,7-8,10-11H2
InChIKeyMXKZFVTVIJMWRK-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.13
Rot. Bonds3

About 1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine

1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 45183884) has the molecular formula C17H22N4S and a molecular weight of 314.46 g/mol. Its IUPAC name is 1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID45183884
Molecular FormulaC17H22N4S
Molecular Weight314.46 g/mol
Exact Mass314.16
IUPAC Name1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESc1ccc(-n2ncc3c2CCCC3NC2CCSCC2)nc1
InChIInChI=1S/C17H22N4S/c1-2-9-18-17(6-1)21-16-5-3-4-15(14(16)12-19-21)20-13-7-10-22-11-8-13/h1-2,6,9,12-13,15,20H,3-5,7-8,10-11H2
InChIKeyMXKZFVTVIJMWRK-UHFFFAOYSA-N
XLogP3.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356388
N-[(2-chlorophenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45176390
2,2-dimethyl-3-[(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
CID 45210671
(2R)-2-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butanamide
CID 95857278
3-methyl-N-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 110225912
(4S)-1-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 29086175
3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
CID 95384792
N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]butane-1-sulfonamide
CID 95384795
(4R)-N-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 26408861
4-methyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiadiazole-5-carboxamide
CID 95202854
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45169911
2-(1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 82591527

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine (CID 45183884) is 1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine is c1ccc(-n2ncc3c2CCCC3NC2CCSCC2)nc1.
What is the InChIKey of 1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is MXKZFVTVIJMWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S/c1-2-9-18-17(6-1)21-16-5-3-4-15(14(16)12-19-21)20-13-7-10-22-11-8-13/h1-2,6,9,12-13,15,20H,3-5,7-8,10-11H2.
What are the key properties of 1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine?
1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 314.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-N-(thian-4-yl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 45183884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).