[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C19H30N4O2 — CID 87053392

IUPAC[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCN(C)CC1CN(C(=O)c2n[nH]c3c2CCCC3)CC12CCOCC2
InChIInChI=1S/C19H30N4O2/c1-22(2)11-14-12-23(13-19(14)7-9-25-10-8-19)18(24)17-15-5-3-4-6-16(15)20-21-17/h14H,3-13H2,1-2H3,(H,20,21)
InChIKeySIAUWVWJTBMIMO-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.72
Rot. Bonds3

About [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 87053392) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID87053392
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCN(C)CC1CN(C(=O)c2n[nH]c3c2CCCC3)CC12CCOCC2
InChIInChI=1S/C19H30N4O2/c1-22(2)11-14-12-23(13-19(14)7-9-25-10-8-19)18(24)17-15-5-3-4-6-16(15)20-21-17/h14H,3-13H2,1-2H3,(H,20,21)
InChIKeySIAUWVWJTBMIMO-UHFFFAOYSA-N
XLogP1.72
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25163871
5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161456
N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161458
5-(2-methylbutan-2-yl)-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25163410
8-[(5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)carbonyl]-1-oxa-8-azaspiro[4.5]decane
CID 56871969
(3S*,5R*)-5-(1-pyrrolidinylcarbonyl)-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylcarbonyl)-3-piperidinecarboxylic acid
CID 56897101
[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 75384386
(4-Methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97367677
[5-(2-Methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97461851
[5-(Oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97461854
[(3aR,6aS)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110126449
(4-Methylpiperazin-1-yl)-[5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 118738799

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 87053392) is [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is CN(C)CC1CN(C(=O)c2n[nH]c3c2CCCC3)CC12CCOCC2.
What is the InChIKey of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is SIAUWVWJTBMIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-22(2)11-14-12-23(13-19(14)7-9-25-10-8-19)18(24)17-15-5-3-4-6-16(15)20-21-17/h14H,3-13H2,1-2H3,(H,20,21).
What are the key properties of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 346.48 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 87053392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).