N-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide

C23H24N4O3 — CID 130229717

IUPACN-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC3(C2)CC(Oc2ccccc2C(N)=O)C3)c2ccccc21
InChIInChI=1S/C23H24N4O3/c1-27-18-8-4-2-6-16(18)20(26-27)22(29)25-14-10-23(11-14)12-15(13-23)30-19-9-5-3-7-17(19)21(24)28/h2-9,14-15H,10-13H2,1H3,(H2,24,28)(H,25,29)
InChIKeyFDCYCKOEQPNOJD-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.79
Rot. Bonds5

About N-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide

N-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide (PubChem CID 130229717) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide
PubChem CID130229717
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC3(C2)CC(Oc2ccccc2C(N)=O)C3)c2ccccc21
InChIInChI=1S/C23H24N4O3/c1-27-18-8-4-2-6-16(18)20(26-27)22(29)25-14-10-23(11-14)12-15(13-23)30-19-9-5-3-7-17(19)21(24)28/h2-9,14-15H,10-13H2,1H3,(H2,24,28)(H,25,29)
InChIKeyFDCYCKOEQPNOJD-UHFFFAOYSA-N
XLogP2.79
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid
CID 130229905
1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide
CID 103118179
N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide
CID 103120569
2-[6-[(2,5-dimethylpyrazole-3-carbonyl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406181
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
(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
N-(2-hydroxycyclohexyl)-1-methylindazole-3-carboxamide
CID 103120150
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylindazole-3-carboxamide
CID 103120378
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
(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-methylpyrrolidin-3-yl)indazole-3-carboxamide
CID 103117381

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide (CID 130229717) is N-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NC2CC3(C2)CC(Oc2ccccc2C(N)=O)C3)c2ccccc21.
What is the InChIKey of N-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide?
The InChIKey is FDCYCKOEQPNOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-27-18-8-4-2-6-16(18)20(26-27)22(29)25-14-10-23(11-14)12-15(13-23)30-19-9-5-3-7-17(19)21(24)28/h2-9,14-15H,10-13H2,1H3,(H2,24,28)(H,25,29).
What are the key properties of N-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide?
N-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 130229717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).