formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide

C20H23N5O3S — CID 161043962

IUPACformic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
SMILESCc1cnc(-c2ccc3c(C(=O)NC4CC5CC4CN5C)n[nH]c3c2)s1.O=CO
InChIInChI=1S/C19H21N5OS.CH2O2/c1-10-8-20-19(26-10)11-3-4-14-16(6-11)22-23-17(14)18(25)21-15-7-13-5-12(15)9-24(13)2;2-1-3/h3-4,6,8,12-13,15H,5,7,9H2,1-2H3,(H,21,25)(H,22,23);1H,(H,2,3)
InChIKeyUBGDJIWNAKGWMS-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.52
Rot. Bonds3

About formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide

formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide (PubChem CID 161043962) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Nameformic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
PubChem CID161043962
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Nameformic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
SMILESCc1cnc(-c2ccc3c(C(=O)NC4CC5CC4CN5C)n[nH]c3c2)s1.O=CO
InChIInChI=1S/C19H21N5OS.CH2O2/c1-10-8-20-19(26-10)11-3-4-14-16(6-11)22-23-17(14)18(25)21-15-7-13-5-12(15)9-24(13)2;2-1-3/h3-4,6,8,12-13,15H,5,7,9H2,1-2H3,(H,21,25)(H,22,23);1H,(H,2,3)
InChIKeyUBGDJIWNAKGWMS-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide 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

6-(difluoromethoxy)-N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-3-carboxamide;formic acid
CID 158461276
formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[5-(5-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
CID 69489262
formic acid;[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[6-(1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone
CID 69489387
4-azatricyclo[5.2.0.01,4]nonan-6-yl 6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxylate;ethenol
CID 143251867
1-[6-(3,6-dihydro-2H-pyran-4-yl)-1H-indazol-3-yl]-2-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)ethanone
CID 58357407
N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide
CID 129127830
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
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-phenyl-1H-indazole-3-carboxamide
CID 10363115
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-6-(1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
CID 67273746
5-(2,3-dimethylimidazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
CID 139448036
5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde
CID 88928943
1,4-diazabicyclo[3.2.2]nonan-4-yl-[6-(4-methyl-1,3-thiazol-2-yl)-1H-indazol-3-yl]methanone;formic acid
CID 11618495

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
The IUPAC name of formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide (CID 161043962) is formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide is Cc1cnc(-c2ccc3c(C(=O)NC4CC5CC4CN5C)n[nH]c3c2)s1.O=CO.
What is the InChIKey of formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
The InChIKey is UBGDJIWNAKGWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS.CH2O2/c1-10-8-20-19(26-10)11-3-4-14-16(6-11)22-23-17(14)18(25)21-15-7-13-5-12(15)9-24(13)2;2-1-3/h3-4,6,8,12-13,15H,5,7,9H2,1-2H3,(H,21,25)(H,22,23);1H,(H,2,3).
What are the key properties of formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-6-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 161043962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).