(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone

C17H21N3O — CID 158416530

IUPAC(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone
SMILESNc1c2c(nn1C(=O)[C@H]1CCCC3=C1C=CC3)CCCC2
InChIInChI=1S/C17H21N3O/c18-16-14-7-1-2-10-15(14)19-20(16)17(21)13-9-4-6-11-5-3-8-12(11)13/h3,8,13H,1-2,4-7,9-10,18H2/t13-/m0/s1
InChIKeyDYIARYPWTBCKDU-ZDUSSCGKSA-N
MW283.37 g/mol
LogP3.04
Rot. Bonds1

About (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone

(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone (PubChem CID 158416530) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone
PubChem CID158416530
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone
SMILESNc1c2c(nn1C(=O)[C@H]1CCCC3=C1C=CC3)CCCC2
InChIInChI=1S/C17H21N3O/c18-16-14-7-1-2-10-15(14)19-20(16)17(21)13-9-4-6-11-5-3-8-12(11)13/h3,8,13H,1-2,4-7,9-10,18H2/t13-/m0/s1
InChIKeyDYIARYPWTBCKDU-ZDUSSCGKSA-N
XLogP3.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone with MolForge

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Related Compounds

(3-Amino-5-fluoro-4,5,6,7-tetrahydroindazol-2-yl)-(6-fluoro-1,2,3,4,4a,8a-hexahydroquinolin-4-yl)methanone
CID 165081763
1-(3-Amino-4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 12211795
(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(2,3-dihydro-1H-inden-1-yl)methanone
CID 132180858
(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(1R)-5-octylcyclodecyl]methanone
CID 132180924
(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(3S)-3-bicyclo[7.7.2]octadecanyl]methanone
CID 132181019
(3-Amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-nonylcyclododecyl)methanone
CID 132181020
[3-Amino-2-(methyliminomethyl)cyclohex-2-en-1-yl]-(3-amino-4,5,6,7-tetrahydroindazol-2-yl)methanone
CID 132181027
4-(3-Amino-4,5,6,7-tetrahydroindazole-1-carbonyl)indol-2-one
CID 141746144
4-(3-Amino-4,5,6,7-tetrahydroindazole-2-carbonyl)indol-2-one
CID 141746146
(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone;bis((3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(4,5,6,7-tetrahydro-1H-inden-4-yl)methanone);methane
CID 160455226
(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(4,5,6,7-tetrahydro-1H-inden-4-yl)methanone
CID 158416529
(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(4,5,6,7-tetrahydro-1H-inden-4-yl)methanone
CID 158416531

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone?
The IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone (CID 158416530) is (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone.
What is the SMILES notation for (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone?
The canonical SMILES for (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone is Nc1c2c(nn1C(=O)[C@H]1CCCC3=C1C=CC3)CCCC2.
What is the InChIKey of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone?
The InChIKey is DYIARYPWTBCKDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O/c18-16-14-7-1-2-10-15(14)19-20(16)17(21)13-9-4-6-11-5-3-8-12(11)13/h3,8,13H,1-2,4-7,9-10,18H2/t13-/m0/s1.
What are the key properties of (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone?
(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone has a molecular weight of 283.37 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,5,6,7-tetrahydroindazol-2-yl)-[(4S)-4,5,6,7-tetrahydro-1H-inden-4-yl]methanone is sourced from PubChem (CID 158416530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).