N-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide

C19H22N4O2 — CID 171673780

IUPACN-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide
SMILESO=C(NC1CCCC12CN(C(=O)C1CC1)C2)c1cccc2[nH]ncc12
InChIInChI=1S/C19H22N4O2/c24-17(13-3-1-4-15-14(13)9-20-22-15)21-16-5-2-8-19(16)10-23(11-19)18(25)12-6-7-12/h1,3-4,9,12,16H,2,5-8,10-11H2,(H,20,22)(H,21,24)
InChIKeyYTAATQOBVWXRSV-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.08
Rot. Bonds3

About N-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide

N-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide (PubChem CID 171673780) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide
PubChem CID171673780
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide
SMILESO=C(NC1CCCC12CN(C(=O)C1CC1)C2)c1cccc2[nH]ncc12
InChIInChI=1S/C19H22N4O2/c24-17(13-3-1-4-15-14(13)9-20-22-15)21-16-5-2-8-19(16)10-23(11-19)18(25)12-6-7-12/h1,3-4,9,12,16H,2,5-8,10-11H2,(H,20,22)(H,21,24)
InChIKeyYTAATQOBVWXRSV-UHFFFAOYSA-N
XLogP2.08
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylcyclopropyl)-1H-indazole-4-carboxamide
CID 110468733
N-(2-azabicyclo[2.2.2]octan-2-yl)-1H-indazole-4-carboxamide
CID 67288688
N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-indazole-4-carboxamide
CID 94821910
N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide
CID 47330976
N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide
CID 129331119
(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 129469253
1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95736162
2-(1H-indole-4-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82765655
N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide
CID 121317957
1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide
CID 120947793
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide
CID 95302082

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide (CID 171673780) is N-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide is O=C(NC1CCCC12CN(C(=O)C1CC1)C2)c1cccc2[nH]ncc12.
What is the InChIKey of N-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide?
The InChIKey is YTAATQOBVWXRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-17(13-3-1-4-15-14(13)9-20-22-15)21-16-5-2-8-19(16)10-23(11-19)18(25)12-6-7-12/h1,3-4,9,12,16H,2,5-8,10-11H2,(H,20,22)(H,21,24).
What are the key properties of N-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide?
N-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonyl)-2-azaspiro[3.4]octan-5-yl]-1H-indazole-4-carboxamide is sourced from PubChem (CID 171673780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).