(6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone

C16H17ClN4O — CID 118576755

IUPAC(6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone
SMILESO=C(c1n[nH]c2cc(Cl)ccc12)N1C2CC3CCN(C2)CC31
InChIInChI=1S/C16H17ClN4O/c17-10-1-2-12-13(6-10)18-19-15(12)16(22)21-11-5-9-3-4-20(7-11)8-14(9)21/h1-2,6,9,11,14H,3-5,7-8H2,(H,18,19)
InChIKeyJGKWJPKZVXDNIN-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.13
Rot. Bonds1

About (6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone

(6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone (PubChem CID 118576755) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is (6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone.

Molecular Properties

Compound Name(6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone
PubChem CID118576755
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name(6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone
SMILESO=C(c1n[nH]c2cc(Cl)ccc12)N1C2CC3CCN(C2)CC31
InChIInChI=1S/C16H17ClN4O/c17-10-1-2-12-13(6-10)18-19-15(12)16(22)21-11-5-9-3-4-20(7-11)8-14(9)21/h1-2,6,9,11,14H,3-5,7-8H2,(H,18,19)
InChIKeyJGKWJPKZVXDNIN-UHFFFAOYSA-N
XLogP2.13
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone 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

[(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone
CID 118576776
(6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone
CID 118580576
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-1H-indazole-3-carboxamide
CID 11544830
1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone
CID 118578495
(6-chloro-1H-indazol-3-yl)-[5-[2-[3-(1,9-diazatetracyclo[6.3.1.02,4.06,10]dodecan-9-yl)oxiran-2-yl]-3a,7a-dihydro-1-benzothiophen-7-yl]-6,9-diazatricyclo[4.3.1.03,8]decan-9-yl]methanone
CID 163600287
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(5-chloro-1H-indazol-3-yl)ethanone;formic acid
CID 158851396
1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen
CID 144976900
(2S,3aS,7aS)-1-(1H-indazole-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 129415426
1,4-diazabicyclo[3.2.2]nonan-4-yl-[6-(trifluoromethoxy)-1H-indazol-3-yl]methanone
CID 11596464
1H-indazol-3-yl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 11681223
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-fluoro-1H-indazol-3-yl)ethanone
CID 58578032
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 25348089

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone?
The IUPAC name of (6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone (CID 118576755) is (6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone.
What is the SMILES notation for (6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone?
The canonical SMILES for (6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone is O=C(c1n[nH]c2cc(Cl)ccc12)N1C2CC3CCN(C2)CC31.
What is the InChIKey of (6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone?
The InChIKey is JGKWJPKZVXDNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-10-1-2-12-13(6-10)18-19-15(12)16(22)21-11-5-9-3-4-20(7-11)8-14(9)21/h1-2,6,9,11,14H,3-5,7-8H2,(H,18,19).
What are the key properties of (6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone?
(6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone has a molecular weight of 316.79 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone is sourced from PubChem (CID 118576755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).