(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

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 (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).