N-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C23H18F2N8O2 — CID 59233122

IUPACN-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1
InChIInChI=1S/C23H18F2N8O2/c1-35-20-9-5-14(10-26-20)15-4-7-19-29-30-22(32(19)11-15)23(24,25)16-6-8-18-27-17(12-33(18)31-16)28-21(34)13-2-3-13/h4-13H,2-3H2,1H3,(H,28,34)
InChIKeySRZUMNMDFICJJY-UHFFFAOYSA-N
MW476.45 g/mol
LogP3.33
Rot. Bonds6

About N-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233122) has the molecular formula C23H18F2N8O2 and a molecular weight of 476.45 g/mol. Its IUPAC name is N-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233122
Molecular FormulaC23H18F2N8O2
Molecular Weight476.45 g/mol
Exact Mass476.15
IUPAC NameN-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1
InChIInChI=1S/C23H18F2N8O2/c1-35-20-9-5-14(10-26-20)15-4-7-19-29-30-22(32(19)11-15)23(24,25)16-6-8-18-27-17(12-33(18)31-16)28-21(34)13-2-3-13/h4-13H,2-3H2,1H3,(H,28,34)
InChIKeySRZUMNMDFICJJY-UHFFFAOYSA-N
XLogP3.33
TPSA111.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233122) is N-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is COc1ccc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.
What is the InChIKey of N-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is SRZUMNMDFICJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N8O2/c1-35-20-9-5-14(10-26-20)15-4-7-19-29-30-22(32(19)11-15)23(24,25)16-6-8-18-27-17(12-33(18)31-16)28-21(34)13-2-3-13/h4-13H,2-3H2,1H3,(H,28,34).
What are the key properties of N-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 476.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[difluoro-[6-(6-methoxy-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).