(1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C16H19N3O2 — CID 171942167

IUPAC(1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCn1ncc2ccc(C(=O)C3CC4COCC(C3)N4)cc21
InChIInChI=1S/C16H19N3O2/c1-19-15-6-10(2-3-11(15)7-17-19)16(20)12-4-13-8-21-9-14(5-12)18-13/h2-3,6-7,12-14,18H,4-5,8-9H2,1H3
InChIKeyBTXBWNNAJXOOLR-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.52
Rot. Bonds2

About (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171942167) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171942167
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCn1ncc2ccc(C(=O)C3CC4COCC(C3)N4)cc21
InChIInChI=1S/C16H19N3O2/c1-19-15-6-10(2-3-11(15)7-17-19)16(20)12-4-13-8-21-9-14(5-12)18-13/h2-3,6-7,12-14,18H,4-5,8-9H2,1H3
InChIKeyBTXBWNNAJXOOLR-UHFFFAOYSA-N
XLogP1.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Indazole-4-carboxaMide, N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-1-(1-Methylethyl)-6-[4-(4-MorpholinylMethyl)phenyl]-
CID 60160560
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-ylindazole-4-carboxamide
CID 72668595
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(morpholin-4-ylmethyl)indazole-4-carboxamide
CID 77465805
1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide
CID 138404048
1-cyclopentyl-N-[[4-[(dimethylamino)methyl]-6-methyl-2-oxo-3H-pyridin-3-yl]methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide
CID 138404062
1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide
CID 21478770
1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide
CID 118987963
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(2-methylpropyl)indazole-3-carboxamide
CID 9863525
N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide
CID 9908096
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propan-2-ylindazole-3-carboxamide
CID 21478704
1-butan-2-yl-N-(9-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide
CID 21478732
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-propylindazole-3-carboxamide
CID 44213327

Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171942167) is (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is Cn1ncc2ccc(C(=O)C3CC4COCC(C3)N4)cc21.
What is the InChIKey of (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is BTXBWNNAJXOOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19-15-6-10(2-3-11(15)7-17-19)16(20)12-4-13-8-21-9-14(5-12)18-13/h2-3,6-7,12-14,18H,4-5,8-9H2,1H3.
What are the key properties of (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171942167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).