1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide

C18H22N4O — CID 163714881

IUPAC1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC3CCC4(C)C(C2)N34)c2ccccc21
InChIInChI=1S/C18H22N4O/c1-18-8-7-12-9-11(10-15(18)22(12)18)19-17(23)16-13-5-3-4-6-14(13)21(2)20-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,23)
InChIKeyKMLTWGTWOCAQGR-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.07
Rot. Bonds2

About 1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide

1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide (PubChem CID 163714881) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide
PubChem CID163714881
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC3CCC4(C)C(C2)N34)c2ccccc21
InChIInChI=1S/C18H22N4O/c1-18-8-7-12-9-11(10-15(18)22(12)18)19-17(23)16-13-5-3-4-6-14(13)21(2)20-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,23)
InChIKeyKMLTWGTWOCAQGR-UHFFFAOYSA-N
XLogP2.07
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;sulfuric acid
CID 46912690
methanesulfonic acid;1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 71728255
2-[(1R,5S)-3-[(1-methylindazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]acetic acid
CID 101096898
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 67274324
(Z)-but-2-enedioic acid;1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 53251841
1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide
CID 103118179
N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide
CID 103120569
N-[(1R,5S)-9-[(4-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-1-methylindazole-3-carboxamide
CID 67845877
N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide
CID 121413863
N-(2-hydroxycyclohexyl)-1-methylindazole-3-carboxamide
CID 103120150
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylindazole-3-carboxamide
CID 103120378

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide (CID 163714881) is 1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide is Cn1nc(C(=O)NC2CC3CCC4(C)C(C2)N34)c2ccccc21.
What is the InChIKey of 1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide?
The InChIKey is KMLTWGTWOCAQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-18-8-7-12-9-11(10-15(18)22(12)18)19-17(23)16-13-5-3-4-6-14(13)21(2)20-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,19,23).
What are the key properties of 1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide?
1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide is sourced from PubChem (CID 163714881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).