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

C26H26F2N10O3 — CID 59233079

IUPACN-[6-[difluoro-[6-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCOCCN(C)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1
InChIInChI=1S/C26H26F2N10O3/c1-35(9-10-41-2)23(39)15-36-12-18(11-29-36)17-5-7-22-32-33-25(37(22)13-17)26(27,28)19-6-8-21-30-20(14-38(21)34-19)31-24(40)16-3-4-16/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3,(H,31,40)
InChIKeyYCSOVPUSCRTNMJ-UHFFFAOYSA-N
MW564.56 g/mol
LogP2.23
Rot. Bonds10

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

N-[6-[difluoro-[6-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 59233079) has the molecular formula C26H26F2N10O3 and a molecular weight of 564.56 g/mol. Its IUPAC name is N-[6-[difluoro-[6-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[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-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID59233079
Molecular FormulaC26H26F2N10O3
Molecular Weight564.56 g/mol
Exact Mass564.22
IUPAC NameN-[6-[difluoro-[6-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCOCCN(C)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1
InChIInChI=1S/C26H26F2N10O3/c1-35(9-10-41-2)23(39)15-36-12-18(11-29-36)17-5-7-22-32-33-25(37(22)13-17)26(27,28)19-6-8-21-30-20(14-38(21)34-19)31-24(40)16-3-4-16/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3,(H,31,40)
InChIKeyYCSOVPUSCRTNMJ-UHFFFAOYSA-N
XLogP2.23
TPSA136.84 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.56
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[6-[difluoro-[6-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[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-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[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-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 59233079) is N-[6-[difluoro-[6-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[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-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[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-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is COCCN(C)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1.
What is the InChIKey of N-[6-[difluoro-[6-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is YCSOVPUSCRTNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N10O3/c1-35(9-10-41-2)23(39)15-36-12-18(11-29-36)17-5-7-22-32-33-25(37(22)13-17)26(27,28)19-6-8-21-30-20(14-38(21)34-19)31-24(40)16-3-4-16/h5-8,11-14,16H,3-4,9-10,15H2,1-2H3,(H,31,40).
What are the key properties of N-[6-[difluoro-[6-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[difluoro-[6-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 564.56 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[difluoro-[6-[1-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 59233079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).