N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(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

C25H24F2N10O3 — CID 59233294

IUPACN-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(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
SMILESCN(CCO)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1
InChIInChI=1S/C25H24F2N10O3/c1-34(8-9-38)22(39)14-35-11-17(10-28-35)16-4-6-21-31-32-24(36(21)12-16)25(26,27)18-5-7-20-29-19(13-37(20)33-18)30-23(40)15-2-3-15/h4-7,10-13,15,38H,2-3,8-9,14H2,1H3,(H,30,40)
InChIKeyNIXDZROZNQMVAI-UHFFFAOYSA-N
MW550.53 g/mol
LogP1.57
Rot. Bonds9

About N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(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-hydroxyethyl(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 59233294) has the molecular formula C25H24F2N10O3 and a molecular weight of 550.53 g/mol. Its IUPAC name is N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(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-hydroxyethyl(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 CID59233294
Molecular FormulaC25H24F2N10O3
Molecular Weight550.53 g/mol
Exact Mass550.20
IUPAC NameN-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(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
SMILESCN(CCO)C(=O)Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5nc(NC(=O)C6CC6)cn5n4)n3c2)cn1
InChIInChI=1S/C25H24F2N10O3/c1-34(8-9-38)22(39)14-35-11-17(10-28-35)16-4-6-21-31-32-24(36(21)12-16)25(26,27)18-5-7-20-29-19(13-37(20)33-18)30-23(40)15-2-3-15/h4-7,10-13,15,38H,2-3,8-9,14H2,1H3,(H,30,40)
InChIKeyNIXDZROZNQMVAI-UHFFFAOYSA-N
XLogP1.57
TPSA147.84 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.53
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(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-hydroxyethyl(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 59233294) is N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(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-hydroxyethyl(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-hydroxyethyl(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 CN(CCO)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-hydroxyethyl(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 NIXDZROZNQMVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N10O3/c1-34(8-9-38)22(39)14-35-11-17(10-28-35)16-4-6-21-31-32-24(36(21)12-16)25(26,27)18-5-7-20-29-19(13-37(20)33-18)30-23(40)15-2-3-15/h4-7,10-13,15,38H,2-3,8-9,14H2,1H3,(H,30,40).
What are the key properties of N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(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-hydroxyethyl(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 550.53 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(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 59233294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).