5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C21H25N5O2 — CID 46959032

IUPAC5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1n[nH]c2c1CC(C)CC2
InChIInChI=1S/C21H25N5O2/c1-3-15(12-26-21(28)16-7-5-4-6-14(16)11-22-26)23-20(27)19-17-10-13(2)8-9-18(17)24-25-19/h4-7,11,13,15H,3,8-10,12H2,1-2H3,(H,23,27)(H,24,25)/t13?,15-/m1/s1
InChIKeyKUXDPGOIARQZDA-AWKYBWMHSA-N
MW379.46 g/mol
LogP2.45
Rot. Bonds5

About 5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 46959032) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID46959032
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1n[nH]c2c1CC(C)CC2
InChIInChI=1S/C21H25N5O2/c1-3-15(12-26-21(28)16-7-5-4-6-14(16)11-22-26)23-20(27)19-17-10-13(2)8-9-18(17)24-25-19/h4-7,11,13,15H,3,8-10,12H2,1-2H3,(H,23,27)(H,24,25)/t13?,15-/m1/s1
InChIKeyKUXDPGOIARQZDA-AWKYBWMHSA-N
XLogP2.45
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 46959032) is 5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1n[nH]c2c1CC(C)CC2.
What is the InChIKey of 5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is KUXDPGOIARQZDA-AWKYBWMHSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-15(12-26-21(28)16-7-5-4-6-14(16)11-22-26)23-20(27)19-17-10-13(2)8-9-18(17)24-25-19/h4-7,11,13,15H,3,8-10,12H2,1-2H3,(H,23,27)(H,24,25)/t13?,15-/m1/s1.
What are the key properties of 5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 46959032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).