N-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide

C23H27F2N7O2 — CID 166825381

IUPACN-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1cn2ncc(C(NC(=O)CC3CC(F)(F)C3)C3CCC3)cc2n1
InChIInChI=1S/C23H27F2N7O2/c1-31-18(5-6-27-31)22(34)26-12-17-13-32-19(29-17)8-16(11-28-32)21(15-3-2-4-15)30-20(33)7-14-9-23(24,25)10-14/h5-6,8,11,13-15,21H,2-4,7,9-10,12H2,1H3,(H,26,34)(H,30,33)
InChIKeyQFMCBHCUPQZHTK-UHFFFAOYSA-N
MW471.51 g/mol
LogP2.79
Rot. Bonds8

About N-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide

N-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 166825381) has the molecular formula C23H27F2N7O2 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide
PubChem CID166825381
Molecular FormulaC23H27F2N7O2
Molecular Weight471.51 g/mol
Exact Mass471.22
IUPAC NameN-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1cn2ncc(C(NC(=O)CC3CC(F)(F)C3)C3CCC3)cc2n1
InChIInChI=1S/C23H27F2N7O2/c1-31-18(5-6-27-31)22(34)26-12-17-13-32-19(29-17)8-16(11-28-32)21(15-3-2-4-15)30-20(33)7-14-9-23(24,25)10-14/h5-6,8,11,13-15,21H,2-4,7,9-10,12H2,1H3,(H,26,34)(H,30,33)
InChIKeyQFMCBHCUPQZHTK-UHFFFAOYSA-N
XLogP2.79
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide (CID 166825381) is N-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCc1cn2ncc(C(NC(=O)CC3CC(F)(F)C3)C3CCC3)cc2n1.
What is the InChIKey of N-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is QFMCBHCUPQZHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N7O2/c1-31-18(5-6-27-31)22(34)26-12-17-13-32-19(29-17)8-16(11-28-32)21(15-3-2-4-15)30-20(33)7-14-9-23(24,25)10-14/h5-6,8,11,13-15,21H,2-4,7,9-10,12H2,1H3,(H,26,34)(H,30,33).
What are the key properties of N-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide?
N-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[cyclobutyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166825381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).