4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide

C25H24ClN5O2 — CID 118576511

IUPAC4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide
SMILESCc1nn(CCCC(=O)NC2CCc3ccccc32)c(=O)c2nn(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H24ClN5O2/c1-16-21-15-31(19-11-9-18(26)10-12-19)29-24(21)25(33)30(28-16)14-4-7-23(32)27-22-13-8-17-5-2-3-6-20(17)22/h2-3,5-6,9-12,15,22H,4,7-8,13-14H2,1H3,(H,27,32)
InChIKeyBHWBNXBMDHXRLA-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.13
Rot. Bonds6

About 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide

4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide (PubChem CID 118576511) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide
PubChem CID118576511
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC Name4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide
SMILESCc1nn(CCCC(=O)NC2CCc3ccccc32)c(=O)c2nn(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H24ClN5O2/c1-16-21-15-31(19-11-9-18(26)10-12-19)29-24(21)25(33)30(28-16)14-4-7-23(32)27-22-13-8-17-5-2-3-6-20(17)22/h2-3,5-6,9-12,15,22H,4,7-8,13-14H2,1H3,(H,27,32)
InChIKeyBHWBNXBMDHXRLA-UHFFFAOYSA-N
XLogP4.13
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 118582687
4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 118582754
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 58012103
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92707123
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
6-amino-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 43652067
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 26065485
N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18103852
4-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 20884153
2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95074940
3-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7919825
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide?
The IUPAC name of 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide (CID 118576511) is 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide is Cc1nn(CCCC(=O)NC2CCc3ccccc32)c(=O)c2nn(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide?
The InChIKey is BHWBNXBMDHXRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c1-16-21-15-31(19-11-9-18(26)10-12-19)29-24(21)25(33)30(28-16)14-4-7-23(32)27-22-13-8-17-5-2-3-6-20(17)22/h2-3,5-6,9-12,15,22H,4,7-8,13-14H2,1H3,(H,27,32).
What are the key properties of 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide?
4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide has a molecular weight of 461.95 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(2,3-dihydro-1H-inden-1-yl)butanamide is sourced from PubChem (CID 118576511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).