2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride

C19H27ClN4O2 — CID 141455120

IUPAC2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCOC2CCC2)ccc2nn(CC3CNC3)cc12.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-13-16(19(24)21-7-8-25-15-3-2-4-15)5-6-18-17(13)12-23(22-18)11-14-9-20-10-14;/h5-6,12,14-15,20H,2-4,7-11H2,1H3,(H,21,24);1H
InChIKeyMZJSMTGAZQUWLJ-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.28
Rot. Bonds7

About 2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride

2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride (PubChem CID 141455120) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride
PubChem CID141455120
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCOC2CCC2)ccc2nn(CC3CNC3)cc12.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-13-16(19(24)21-7-8-25-15-3-2-4-15)5-6-18-17(13)12-23(22-18)11-14-9-20-10-14;/h5-6,12,14-15,20H,2-4,7-11H2,1H3,(H,21,24);1H
InChIKeyMZJSMTGAZQUWLJ-UHFFFAOYSA-N
XLogP2.28
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-1-[4-methyl-2-(piperidin-4-ylmethyl)indazol-5-yl]butan-1-one;hydrochloride
CID 159556667
2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide
CID 123365370
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
CID 71581997
2-[[1-[4-(4-tert-butylphenoxy)benzoyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide
CID 71581596
2-[[1-[4-(4-fluorophenoxy)benzoyl]piperidin-4-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide
CID 71581996
2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide
CID 71582294
2-[[1-[4-(4-chlorophenoxy)benzoyl]azetidin-3-yl]methyl]-N-[(2R)-2-cyclobutyloxypropyl]-4-methylindazole-5-carboxamide
CID 86292791
N-[2-(cyclopropylmethoxy)ethyl]-2-[[1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene-1-carbonyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide
CID 123613855
N-ethyl-2-[[1-[4-(4-fluorophenoxy)benzoyl]azetidin-3-yl]methyl]-4-methylindazole-5-carboxamide
CID 129157799
N-(2-methoxyethyl)-4-methyl-2-[[1-[phenyl-[4-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]piperidin-4-yl]methyl]indazole-5-carboxamide
CID 150283388
4-methyl-N-pentyl-2-[[1-[4-[4-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]methyl]indazole-5-carboxamide
CID 150691537
2-[[1-(4-bromobenzoyl)piperidin-4-yl]methyl]-4-methyl-N-(2,2,2-trifluoroethyl)indazole-5-carboxamide
CID 71582539

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride (CID 141455120) is 2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride is Cc1c(C(=O)NCCOC2CCC2)ccc2nn(CC3CNC3)cc12.Cl.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride?
The InChIKey is MZJSMTGAZQUWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c1-13-16(19(24)21-7-8-25-15-3-2-4-15)5-6-18-17(13)12-23(22-18)11-14-9-20-10-14;/h5-6,12,14-15,20H,2-4,7-11H2,1H3,(H,21,24);1H.
What are the key properties of 2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride?
2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 141455120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).