N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C21H25N3O — CID 75380300

IUPACN-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(NCC1CC12CCCc1ccccc12)C1CCCc2[nH]ncc21
InChIInChI=1S/C21H25N3O/c25-20(16-7-3-9-19-17(16)13-23-24-19)22-12-15-11-21(15)10-4-6-14-5-1-2-8-18(14)21/h1-2,5,8,13,15-16H,3-4,6-7,9-12H2,(H,22,25)(H,23,24)
InChIKeyOEQPFAGPPAABJG-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.24
Rot. Bonds3

About N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 75380300) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID75380300
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(NCC1CC12CCCc1ccccc12)C1CCCc2[nH]ncc21
InChIInChI=1S/C21H25N3O/c25-20(16-7-3-9-19-17(16)13-23-24-19)22-12-15-11-21(15)10-4-6-14-5-1-2-8-18(14)21/h1-2,5,8,13,15-16H,3-4,6-7,9-12H2,(H,22,25)(H,23,24)
InChIKeyOEQPFAGPPAABJG-UHFFFAOYSA-N
XLogP3.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 75380300) is N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is O=C(NCC1CC12CCCc1ccccc12)C1CCCc2[nH]ncc21.
What is the InChIKey of N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is OEQPFAGPPAABJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-20(16-7-3-9-19-17(16)13-23-24-19)22-12-15-11-21(15)10-4-6-14-5-1-2-8-18(14)21/h1-2,5,8,13,15-16H,3-4,6-7,9-12H2,(H,22,25)(H,23,24).
What are the key properties of N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 75380300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).