(6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol

C24H28N4O — CID 161001585

IUPAC(6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol
SMILESC[C@H](CCCC(C)(O)c1ccc2[nH]ncc2c1)NCc1ccc2cnccc2c1
InChIInChI=1S/C24H28N4O/c1-17(26-14-18-5-6-20-15-25-11-9-19(20)12-18)4-3-10-24(2,29)22-7-8-23-21(13-22)16-27-28-23/h5-9,11-13,15-17,26,29H,3-4,10,14H2,1-2H3,(H,27,28)/t17-,24?/m1/s1
InChIKeyTVYIDTPPVGRBBG-BPNWFJGMSA-N
MW388.52 g/mol
LogP4.67
Rot. Bonds8

About (6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol

(6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol (PubChem CID 161001585) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is (6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol.

Molecular Properties

Compound Name(6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol
PubChem CID161001585
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name(6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol
SMILESC[C@H](CCCC(C)(O)c1ccc2[nH]ncc2c1)NCc1ccc2cnccc2c1
InChIInChI=1S/C24H28N4O/c1-17(26-14-18-5-6-20-15-25-11-9-19(20)12-18)4-3-10-24(2,29)22-7-8-23-21(13-22)16-27-28-23/h5-9,11-13,15-17,26,29H,3-4,10,14H2,1-2H3,(H,27,28)/t17-,24?/m1/s1
InChIKeyTVYIDTPPVGRBBG-BPNWFJGMSA-N
XLogP4.67
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol with MolForge

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Related Compounds

(6R)-2-(1,3-benzothiazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol;hydrochloride
CID 161443230
(2R)-N-(isoquinolin-6-ylmethyl)nonan-2-amine
CID 160577126
N-(isoquinolin-6-ylmethyl)heptan-2-amine
CID 107037843
(1S,5R)-1-(4-fluorophenyl)-5-(isoquinolin-6-ylmethylamino)hexan-1-ol
CID 157353880
(1R,6R)-6-(isoquinolin-6-ylmethylamino)-1-phenylheptan-1-ol;hydrochloride
CID 158232462
(6R)-4-amino-6-(isoquinolin-6-ylmethylamino)-2-phenylheptan-2-ol
CID 157134711
(2R)-6-[4-(2-aminoethyl)phenyl]-N-(isoquinolin-6-ylmethyl)hexan-2-amine
CID 158414323
(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol
CID 103854776
(2R)-N-(isoquinolin-6-ylmethyl)-6-(4-phenylphenyl)hexan-2-amine
CID 159200928
(2R)-N-(isoquinolin-6-ylmethyl)-6-(1,2-thiazol-3-yl)hexan-2-amine
CID 157247655
(2R)-N-(isoquinolin-6-ylmethyl)-6-thiophen-3-ylhexan-2-amine
CID 159499848
3-(isoquinolin-6-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106349273

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol?
The IUPAC name of (6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol (CID 161001585) is (6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol.
What is the SMILES notation for (6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol?
The canonical SMILES for (6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol is C[C@H](CCCC(C)(O)c1ccc2[nH]ncc2c1)NCc1ccc2cnccc2c1.
What is the InChIKey of (6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol?
The InChIKey is TVYIDTPPVGRBBG-BPNWFJGMSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17(26-14-18-5-6-20-15-25-11-9-19(20)12-18)4-3-10-24(2,29)22-7-8-23-21(13-22)16-27-28-23/h5-9,11-13,15-17,26,29H,3-4,10,14H2,1-2H3,(H,27,28)/t17-,24?/m1/s1.
What are the key properties of (6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol?
(6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol has a molecular weight of 388.52 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(1H-indazol-5-yl)-6-(isoquinolin-6-ylmethylamino)heptan-2-ol is sourced from PubChem (CID 161001585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).