N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide

C18H27N3O — CID 154859068

IUPACN-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide
SMILESO=C(NC1CCc2[nH]ncc2C1)C1CCCC2CCCCC21
InChIInChI=1S/C18H27N3O/c22-18(16-7-3-5-12-4-1-2-6-15(12)16)20-14-8-9-17-13(10-14)11-19-21-17/h11-12,14-16H,1-10H2,(H,19,21)(H,20,22)
InChIKeyWINIHIAIOFSUBG-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.99
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide

N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide (PubChem CID 154859068) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide
PubChem CID154859068
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide
SMILESO=C(NC1CCc2[nH]ncc2C1)C1CCCC2CCCCC21
InChIInChI=1S/C18H27N3O/c22-18(16-7-3-5-12-4-1-2-6-15(12)16)20-14-8-9-17-13(10-14)11-19-21-17/h11-12,14-16H,1-10H2,(H,19,21)(H,20,22)
InChIKeyWINIHIAIOFSUBG-UHFFFAOYSA-N
XLogP2.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-2-oxoethyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperidine-4-carboxamide
CID 97119621
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 20546780
1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 75383144
3-(2-fluorophenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-5-carboxamide
CID 97149757
1-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97100646
(2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide
CID 142095859
4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide
CID 124736798
1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327595
1-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 126783388
trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid
CID 154871702
benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate
CID 175325896
1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327583

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide (CID 154859068) is N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide is O=C(NC1CCc2[nH]ncc2C1)C1CCCC2CCCCC21.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide?
The InChIKey is WINIHIAIOFSUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(16-7-3-5-12-4-1-2-6-15(12)16)20-14-8-9-17-13(10-14)11-19-21-17/h11-12,14-16H,1-10H2,(H,19,21)(H,20,22).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide?
N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide is sourced from PubChem (CID 154859068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).