3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol

C16H19N3OS — CID 86781542

IUPAC3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol
SMILESCC(CC(O)c1cccs1)NCc1cccc2cn[nH]c12
InChIInChI=1S/C16H19N3OS/c1-11(8-14(20)15-6-3-7-21-15)17-9-12-4-2-5-13-10-18-19-16(12)13/h2-7,10-11,14,17,20H,8-9H2,1H3,(H,18,19)
InChIKeyULSPIENDXISLGZ-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.23
Rot. Bonds6

About 3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol

3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol (PubChem CID 86781542) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol
PubChem CID86781542
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol
SMILESCC(CC(O)c1cccs1)NCc1cccc2cn[nH]c12
InChIInChI=1S/C16H19N3OS/c1-11(8-14(20)15-6-3-7-21-15)17-9-12-4-2-5-13-10-18-19-16(12)13/h2-7,10-11,14,17,20H,8-9H2,1H3,(H,18,19)
InChIKeyULSPIENDXISLGZ-UHFFFAOYSA-N
XLogP3.23
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(1H-indazol-7-ylmethylamino)-N-propan-2-ylbutanamide
CID 97002410
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 84595105
(1R,3R)-3-[(5-methyl-2-pyridinyl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 97329293
N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine
CID 115684234
7-(2-methylpropyl)-1H-indazole
CID 167194868
(1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 97249768
1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43233218
1-(4-chlorophenyl)-2-(1H-indazol-7-ylmethylamino)ethanol
CID 111969339
3-[(1H-indazol-7-ylmethylamino)methyl]hexan-1-ol
CID 111969470
N-(1H-indazol-7-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
CID 71974601
2-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43233315
N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 71923123

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol (CID 86781542) is 3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol is CC(CC(O)c1cccs1)NCc1cccc2cn[nH]c12.
What is the InChIKey of 3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol?
The InChIKey is ULSPIENDXISLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11(8-14(20)15-6-3-7-21-15)17-9-12-4-2-5-13-10-18-19-16(12)13/h2-7,10-11,14,17,20H,8-9H2,1H3,(H,18,19).
What are the key properties of 3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol?
3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol has a molecular weight of 301.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 86781542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).