formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide

C20H23N5O3S — CID 11611337

IUPACformic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1n[nH]c3ccc(-c4nccs4)cc13)C2.O=CO
InChIInChI=1S/C19H21N5OS.CH2O2/c1-24-13-3-4-14(24)10-12(9-13)21-18(25)17-15-8-11(19-20-6-7-26-19)2-5-16(15)22-23-17;2-1-3/h2,5-8,12-14H,3-4,9-10H2,1H3,(H,21,25)(H,22,23);1H,(H,2,3)
InChIKeySSIYMBLOLWSEPI-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.74
Rot. Bonds3

About formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide

formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide (PubChem CID 11611337) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Nameformic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
PubChem CID11611337
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Nameformic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1n[nH]c3ccc(-c4nccs4)cc13)C2.O=CO
InChIInChI=1S/C19H21N5OS.CH2O2/c1-24-13-3-4-14(24)10-12(9-13)21-18(25)17-15-8-11(19-20-6-7-26-19)2-5-16(15)22-23-17;2-1-3/h2,5-8,12-14H,3-4,9-10H2,1H3,(H,21,25)(H,22,23);1H,(H,2,3)
InChIKeySSIYMBLOLWSEPI-UHFFFAOYSA-N
XLogP2.74
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
The IUPAC name of formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide (CID 11611337) is formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide is CN1C2CCC1CC(NC(=O)c1n[nH]c3ccc(-c4nccs4)cc13)C2.O=CO.
What is the InChIKey of formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
The InChIKey is SSIYMBLOLWSEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS.CH2O2/c1-24-13-3-4-14(24)10-12(9-13)21-18(25)17-15-8-11(19-20-6-7-26-19)2-5-16(15)22-23-17;2-1-3/h2,5-8,12-14H,3-4,9-10H2,1H3,(H,21,25)(H,22,23);1H,(H,2,3).
What are the key properties of formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 11611337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).