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

C21H25N3O — CID 124840840

IUPAC(4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(NC[C@@H]1C[C@@]12CCCc1ccccc12)[C@H]1CCCc2[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)/t15-,16-,21-/m0/s1
InChIKeyOEQPFAGPPAABJG-QYWGDWMGSA-N
MW335.45 g/mol
LogP3.24
Rot. Bonds3

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

(4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 124840840) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID124840840
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(NC[C@@H]1C[C@@]12CCCc1ccccc12)[C@H]1CCCc2[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)/t15-,16-,21-/m0/s1
InChIKeyOEQPFAGPPAABJG-QYWGDWMGSA-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

Analyze (4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide with MolForge

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Related Compounds

N-[2-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methylcarbamoylamino]ethyl]cyclopropanecarboxamide
CID 97225874
N-[4-oxo-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)butyl]cyclopropanecarboxamide
CID 71919160
N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97051911
1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea
CID 98850145
N-[(3-hydroxycyclohexyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 127458146
1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624
2-(1H-pyrazol-5-yl)-N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide
CID 97222942
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795440
5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide
CID 97083649
(3S)-3-(hydroxymethyl)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]piperidine-1-carboxamide
CID 97225923
N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide
CID 97051894

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of (4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 124840840) is (4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for (4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for (4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is O=C(NC[C@@H]1C[C@@]12CCCc1ccccc12)[C@H]1CCCc2[nH]ncc21.
What is the InChIKey of (4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is OEQPFAGPPAABJG-QYWGDWMGSA-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)/t15-,16-,21-/m0/s1.
What are the key properties of (4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
(4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-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 (4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 124840840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).