N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide

C19H21N5O2S — CID 126842502

IUPACN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1nn(-c3cncs3)c3ccccc13)C2
InChIInChI=1S/C19H21N5O2S/c1-23-13-6-12(7-14(23)10-26-9-13)21-19(25)18-15-4-2-3-5-16(15)24(22-18)17-8-20-11-27-17/h2-5,8,11-14H,6-7,9-10H2,1H3,(H,21,25)
InChIKeyBQMFWOMMUXHVFC-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.07
Rot. Bonds3

About N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide

N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide (PubChem CID 126842502) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide
PubChem CID126842502
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1nn(-c3cncs3)c3ccccc13)C2
InChIInChI=1S/C19H21N5O2S/c1-23-13-6-12(7-14(23)10-26-9-13)21-19(25)18-15-4-2-3-5-16(15)24(22-18)17-8-20-11-27-17/h2-5,8,11-14H,6-7,9-10H2,1H3,(H,21,25)
InChIKeyBQMFWOMMUXHVFC-UHFFFAOYSA-N
XLogP2.07
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US9617282, Example 47
CID 118641177
N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-(1-methylpyrazol-4-yl)indole-3-carboxamide
CID 89927890
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-2-yl)indole-3-carboxamide
CID 126842485
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indole-3-carboxamide
CID 126842486
N-(2-piperidin-1-ylethyl)-5-[5-(7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 127038828
1-[1-(difluoromethyl)pyrazol-4-yl]-N-[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide
CID 89927752
1-(1-methylpyrazol-4-yl)-N-[(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indole-3-carboxamide
CID 89927790
1-[1-(difluoromethyl)pyrazol-4-yl]-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide
CID 89943723
5-fluoro-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide
CID 132470946
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1-methylpyrazol-4-yl)indole-3-carboxamide
CID 89943508
N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 89946573
5-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-1-(2-phenylethyl)-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26134787

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide?
The IUPAC name of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide (CID 126842502) is N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide.
What is the SMILES notation for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide?
The canonical SMILES for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide is CN1C2COCC1CC(NC(=O)c1nn(-c3cncs3)c3ccccc13)C2.
What is the InChIKey of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide?
The InChIKey is BQMFWOMMUXHVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-23-13-6-12(7-14(23)10-26-9-13)21-19(25)18-15-4-2-3-5-16(15)24(22-18)17-8-20-11-27-17/h2-5,8,11-14H,6-7,9-10H2,1H3,(H,21,25).
What are the key properties of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide?
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,3-thiazol-5-yl)indazole-3-carboxamide is sourced from PubChem (CID 126842502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).