1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide

C25H21N5O3 — CID 118556425

IUPAC1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
SMILESCC(O)Cn1nc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c2ccccc21
InChIInChI=1S/C25H21N5O3/c1-15(31)14-30-21-9-5-4-8-20(21)23(29-30)25(33)26-17-12-10-16(11-13-17)22-18-6-2-3-7-19(18)24(32)28-27-22/h2-13,15,31H,14H2,1H3,(H,26,33)(H,28,32)
InChIKeyMHCGTDFULJSJMX-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.57
Rot. Bonds5

About 1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide

1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide (PubChem CID 118556425) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
PubChem CID118556425
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
SMILESCC(O)Cn1nc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c2ccccc21
InChIInChI=1S/C25H21N5O3/c1-15(31)14-30-21-9-5-4-8-20(21)23(29-30)25(33)26-17-12-10-16(11-13-17)22-18-6-2-3-7-19(18)24(32)28-27-22/h2-13,15,31H,14H2,1H3,(H,26,33)(H,28,32)
InChIKeyMHCGTDFULJSJMX-UHFFFAOYSA-N
XLogP3.57
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(oxetan-3-ylmethyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
CID 118556395
6-fluoro-1-(2-hydroxy-2-methylpropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
CID 118556611
1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
CID 90299261
6-fluoro-1-(2-methylprop-1-enyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
CID 118556632
1-amino-2-methylpropan-2-ol;deuterio(fluoro)methane;1-[3-[(2-hydroxy-2-methylpropyl)amino]-3-oxopropyl]-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide;methane;3-[3-[[4-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]indazol-1-yl]propanoic acid
CID 158180354
1-[(1-tert-butylazetidin-3-yl)methyl]-N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
CID 172831976
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
CID 7925968
1-(3-hydroxybutyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole-3-carboxamide
CID 123850291
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
methyl 1-(2-methylpropyl)indazole-3-carboxylate
CID 10489745

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide?
The IUPAC name of 1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide (CID 118556425) is 1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide?
The canonical SMILES for 1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide is CC(O)Cn1nc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c2ccccc21.
What is the InChIKey of 1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide?
The InChIKey is MHCGTDFULJSJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-15(31)14-30-21-9-5-4-8-20(21)23(29-30)25(33)26-17-12-10-16(11-13-17)22-18-6-2-3-7-19(18)24(32)28-27-22/h2-13,15,31H,14H2,1H3,(H,26,33)(H,28,32).
What are the key properties of 1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide?
1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide is sourced from PubChem (CID 118556425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).