N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide

C23H29N5O2 — CID 16847318

IUPACN-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
SMILESCc1ccc(-n2ncc3c(C(C)C)nn(CC(=O)NC4CCCC4)c(=O)c32)cc1C
InChIInChI=1S/C23H29N5O2/c1-14(2)21-19-12-24-28(18-10-9-15(3)16(4)11-18)22(19)23(30)27(26-21)13-20(29)25-17-7-5-6-8-17/h9-12,14,17H,5-8,13H2,1-4H3,(H,25,29)
InChIKeyXEEDJRADDSMPRC-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.38
Rot. Bonds5

About N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide

N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide (PubChem CID 16847318) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
PubChem CID16847318
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
SMILESCc1ccc(-n2ncc3c(C(C)C)nn(CC(=O)NC4CCCC4)c(=O)c32)cc1C
InChIInChI=1S/C23H29N5O2/c1-14(2)21-19-12-24-28(18-10-9-15(3)16(4)11-18)22(19)23(30)27(26-21)13-20(29)25-17-7-5-6-8-17/h9-12,14,17H,5-8,13H2,1-4H3,(H,25,29)
InChIKeyXEEDJRADDSMPRC-UHFFFAOYSA-N
XLogP3.38
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide (CID 16847318) is N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide is Cc1ccc(-n2ncc3c(C(C)C)nn(CC(=O)NC4CCCC4)c(=O)c32)cc1C.
What is the InChIKey of N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide?
The InChIKey is XEEDJRADDSMPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-14(2)21-19-12-24-28(18-10-9-15(3)16(4)11-18)22(19)23(30)27(26-21)13-20(29)25-17-7-5-6-8-17/h9-12,14,17H,5-8,13H2,1-4H3,(H,25,29).
What are the key properties of N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide?
N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide has a molecular weight of 407.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(3,4-dimethylphenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide is sourced from PubChem (CID 16847318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).