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

C24H19F2N7O2 — CID 59233296

IUPACN-[6-[difluoro-[6-(4-methoxyphenyl)-[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)cc1
InChIInChI=1S/C24H19F2N7O2/c1-35-17-7-4-14(5-8-17)16-6-10-21-29-30-23(32(21)12-16)24(25,26)18-9-11-20-27-19(13-33(20)31-18)28-22(34)15-2-3-15/h4-13,15H,2-3H2,1H3,(H,28,34)
InChIKeyYQAKPBCMMGEQNY-UHFFFAOYSA-N
MW475.46 g/mol
LogP3.94
Rot. Bonds6

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

N-[6-[difluoro-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233296) has the molecular formula C24H19F2N7O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is N-[6-[difluoro-[6-(4-methoxyphenyl)-[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-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233296
Molecular FormulaC24H19F2N7O2
Molecular Weight475.46 g/mol
Exact Mass475.16
IUPAC NameN-[6-[difluoro-[6-(4-methoxyphenyl)-[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)cc1
InChIInChI=1S/C24H19F2N7O2/c1-35-17-7-4-14(5-8-17)16-6-10-21-29-30-23(32(21)12-16)24(25,26)18-9-11-20-27-19(13-33(20)31-18)28-22(34)15-2-3-15/h4-13,15H,2-3H2,1H3,(H,28,34)
InChIKeyYQAKPBCMMGEQNY-UHFFFAOYSA-N
XLogP3.94
TPSA98.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[difluoro-[6-(4-methoxyphenyl)-[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-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233296) is N-[6-[difluoro-[6-(4-methoxyphenyl)-[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-(4-methoxyphenyl)-[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-(4-methoxyphenyl)-[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)cc1.
What is the InChIKey of N-[6-[difluoro-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is YQAKPBCMMGEQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O2/c1-35-17-7-4-14(5-8-17)16-6-10-21-29-30-23(32(21)12-16)24(25,26)18-9-11-20-27-19(13-33(20)31-18)28-22(34)15-2-3-15/h4-13,15H,2-3H2,1H3,(H,28,34).
What are the key properties of N-[6-[difluoro-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[difluoro-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 475.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[difluoro-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).