N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide

C16H20N4O3 — CID 138670671

IUPACN-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NN3CCC4(CC3)OCCO4)cccc2n1
InChIInChI=1S/C16H20N4O3/c1-19-11-13-12(3-2-4-14(13)17-19)15(21)18-20-7-5-16(6-8-20)22-9-10-23-16/h2-4,11H,5-10H2,1H3,(H,18,21)
InChIKeyLNRJFOCXBBEPKM-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.06
Rot. Bonds2

About N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide

N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide (PubChem CID 138670671) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide
PubChem CID138670671
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide
SMILESCn1cc2c(C(=O)NN3CCC4(CC3)OCCO4)cccc2n1
InChIInChI=1S/C16H20N4O3/c1-19-11-13-12(3-2-4-14(13)17-19)15(21)18-20-7-5-16(6-8-20)22-9-10-23-16/h2-4,11H,5-10H2,1H3,(H,18,21)
InChIKeyLNRJFOCXBBEPKM-UHFFFAOYSA-N
XLogP1.06
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate
CID 138670668
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
4-buta-1,3-dien-2-yl-2-methylindazole
CID 123545046
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methyltriazol-4-yl)methanone
CID 110691585
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109096677
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone
CID 110702838
2,4-dimethylindazole;ethane
CID 90974355
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-fluoro-3-methylphenyl)methanone
CID 80718430
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 35371146
2-(morpholin-4-ylcarbamoyl)benzoic acid
CID 83004357
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-amine
CID 103078750
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-methylbenzamide
CID 112984204

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide?
The IUPAC name of N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide (CID 138670671) is N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide.
What is the SMILES notation for N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide?
The canonical SMILES for N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide is Cn1cc2c(C(=O)NN3CCC4(CC3)OCCO4)cccc2n1.
What is the InChIKey of N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide?
The InChIKey is LNRJFOCXBBEPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-19-11-13-12(3-2-4-14(13)17-19)15(21)18-20-7-5-16(6-8-20)22-9-10-23-16/h2-4,11H,5-10H2,1H3,(H,18,21).
What are the key properties of N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide?
N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide is sourced from PubChem (CID 138670671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).