4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide

C21H19N3O2 — CID 97053263

IUPAC4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide
SMILESO=C(NC[C@@H]1C[C@]12CCc1ccccc12)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C21H19N3O2/c25-19-16-7-3-2-6-15(16)18(23-24-19)20(26)22-12-14-11-21(14)10-9-13-5-1-4-8-17(13)21/h1-8,14H,9-12H2,(H,22,26)(H,24,25)/t14-,21+/m0/s1
InChIKeySRAVJUFOSFRADX-LHSJRXKWSA-N
MW345.40 g/mol
LogP2.56
Rot. Bonds3

About 4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide

4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide (PubChem CID 97053263) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide
PubChem CID97053263
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide
SMILESO=C(NC[C@@H]1C[C@]12CCc1ccccc12)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C21H19N3O2/c25-19-16-7-3-2-6-15(16)18(23-24-19)20(26)22-12-14-11-21(14)10-9-13-5-1-4-8-17(13)21/h1-8,14H,9-12H2,(H,22,26)(H,24,25)/t14-,21+/m0/s1
InChIKeySRAVJUFOSFRADX-LHSJRXKWSA-N
XLogP2.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)-3H-phthalazine-1-carboxamide
CID 86769560
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 111110487
N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide
CID 97051894
2-(1H-pyrazol-5-yl)-N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide
CID 97222942
4,6-dimethyl-2-oxo-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyridine-3-carboxamide
CID 97051904
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)furan-3-carboxamide
CID 71972459
1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 99946586
3-methyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]furan-2-carboxamide
CID 97051941
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29478544
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100579847
N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97083549

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide (CID 97053263) is 4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide is O=C(NC[C@@H]1C[C@]12CCc1ccccc12)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide?
The InChIKey is SRAVJUFOSFRADX-LHSJRXKWSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-19-16-7-3-2-6-15(16)18(23-24-19)20(26)22-12-14-11-21(14)10-9-13-5-1-4-8-17(13)21/h1-8,14H,9-12H2,(H,22,26)(H,24,25)/t14-,21+/m0/s1.
What are the key properties of 4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide?
4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 97053263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).