(6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone

C16H17ClN4O — CID 118580576

IUPAC(6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone
SMILESO=C(c1n[nH]c2cc(Cl)ccc12)N1C[C@@H]2CN3CCC2C1C3
InChIInChI=1S/C16H17ClN4O/c17-10-1-2-12-13(5-10)18-19-15(12)16(22)21-7-9-6-20-4-3-11(9)14(21)8-20/h1-2,5,9,11,14H,3-4,6-8H2,(H,18,19)/t9-,11?,14?/m0/s1
InChIKeyHWHWQOHQLXCOAS-VOIZVOFFSA-N
MW316.79 g/mol
LogP1.99
Rot. Bonds1

About (6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone

(6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone (PubChem CID 118580576) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is (6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone.

Molecular Properties

Compound Name(6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone
PubChem CID118580576
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name(6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone
SMILESO=C(c1n[nH]c2cc(Cl)ccc12)N1C[C@@H]2CN3CCC2C1C3
InChIInChI=1S/C16H17ClN4O/c17-10-1-2-12-13(5-10)18-19-15(12)16(22)21-7-9-6-20-4-3-11(9)14(21)8-20/h1-2,5,9,11,14H,3-4,6-8H2,(H,18,19)/t9-,11?,14?/m0/s1
InChIKeyHWHWQOHQLXCOAS-VOIZVOFFSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazatricyclo[4.3.1.03,7]decan-4-yl(1H-indazol-3-yl)methanone
CID 118578495
(6-chloro-1H-indazol-3-yl)-(6,9-diazatricyclo[4.3.1.03,8]decan-9-yl)methanone
CID 118576755
1,6-diazatricyclo[5.3.1.04,8]undecan-6-yl(1H-indazol-3-yl)methanone;molecular hydrogen
CID 144976900
[(1R,3S,8R)-2,6-diazatricyclo[4.3.1.03,8]decan-2-yl]-(6-methyl-1H-indazol-3-yl)methanone
CID 118576776
(5-chloro-1H-indazol-3-yl)-[(1S,5R,8R)-3-ethyl-8-methyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 129142823
1,4-diazabicyclo[3.2.2]nonan-4-yl-[6-(trifluoromethoxy)-1H-indazol-3-yl]methanone
CID 11596464
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 25348089
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-1H-indazole-3-carboxamide
CID 11544830
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(1H-indazol-3-yl)methanone
CID 43594809
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(5-chloro-1H-indazol-3-yl)ethanone;formic acid
CID 158851396
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[2.2.2]octan-2-yl)methanone
CID 59749066

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone?
The IUPAC name of (6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone (CID 118580576) is (6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone.
What is the SMILES notation for (6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone?
The canonical SMILES for (6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone is O=C(c1n[nH]c2cc(Cl)ccc12)N1C[C@@H]2CN3CCC2C1C3.
What is the InChIKey of (6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone?
The InChIKey is HWHWQOHQLXCOAS-VOIZVOFFSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-10-1-2-12-13(5-10)18-19-15(12)16(22)21-7-9-6-20-4-3-11(9)14(21)8-20/h1-2,5,9,11,14H,3-4,6-8H2,(H,18,19)/t9-,11?,14?/m0/s1.
What are the key properties of (6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone?
(6-chloro-1H-indazol-3-yl)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone has a molecular weight of 316.79 g/mol, XLogP of 1.99, 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)-[(6S)-1,4-diazatricyclo[4.3.1.03,7]decan-4-yl]methanone is sourced from PubChem (CID 118580576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).