[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride

C13H15ClN4O — CID 66932254

IUPAC[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride
SMILESCl.O=C(c1n[nH]c2ccccc12)N1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C13H14N4O.ClH/c18-13(17-7-8-5-9(17)6-14-8)12-10-3-1-2-4-11(10)15-16-12;/h1-4,8-9,14H,5-7H2,(H,15,16);1H/t8-,9-;/m0./s1
InChIKeyHELQALKWYPLEBP-OZZZDHQUSA-N
MW278.74 g/mol
LogP1.17
Rot. Bonds1

About [(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride

[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride (PubChem CID 66932254) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is [(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride
PubChem CID66932254
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride
SMILESCl.O=C(c1n[nH]c2ccccc12)N1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C13H14N4O.ClH/c18-13(17-7-8-5-9(17)6-14-8)12-10-3-1-2-4-11(10)15-16-12;/h1-4,8-9,14H,5-7H2,(H,15,16);1H/t8-,9-;/m0./s1
InChIKeyHELQALKWYPLEBP-OZZZDHQUSA-N
XLogP1.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride 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

2,5-diazabicyclo[2.2.1]heptan-2-yl(1H-indazol-3-yl)methanone
CID 69289370
2,5-diazabicyclo[2.2.2]octan-2-yl(1H-indazol-3-yl)methanone
CID 11161171
1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methanone
CID 69289285
1H-indazol-3-yl-(5-methyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 59749066
2,5-diazabicyclo[2.2.1]heptan-2-yl-(1-methylindazol-3-yl)methanone
CID 166081458
(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151942
7-(1H-indazole-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094890
2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride
CID 11738804
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1H-indazol-3-yl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 11681223
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(1H-indazol-3-yl)methanone
CID 43594809
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1H-indazol-3-yl)methanone
CID 72843968

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride?
The IUPAC name of [(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride (CID 66932254) is [(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for [(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride?
The canonical SMILES for [(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride is Cl.O=C(c1n[nH]c2ccccc12)N1C[C@@H]2C[C@H]1CN2.
What is the InChIKey of [(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride?
The InChIKey is HELQALKWYPLEBP-OZZZDHQUSA-N. The full InChI is InChI=1S/C13H14N4O.ClH/c18-13(17-7-8-5-9(17)6-14-8)12-10-3-1-2-4-11(10)15-16-12;/h1-4,8-9,14H,5-7H2,(H,15,16);1H/t8-,9-;/m0./s1.
What are the key properties of [(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride?
[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride has a molecular weight of 278.74 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 66932254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).