N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide

C28H28F2N6O4 — CID 142580759

IUPACN-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(=O)C(C)C)cn3n2)cc1C(=O)NCc1cc(F)cc(F)c1OCC1CC1
InChIInChI=1S/C28H28F2N6O4/c1-15(2)26(37)34-23-13-36-24(33-23)7-6-22(35-36)17-9-20(28(39-3)32-11-17)27(38)31-12-18-8-19(29)10-21(30)25(18)40-14-16-4-5-16/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H,31,38)(H,34,37)
InChIKeyWPXFPCKFGXLIET-UHFFFAOYSA-N
MW550.57 g/mol
LogP4.39
Rot. Bonds10

About N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide

N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide (PubChem CID 142580759) has the molecular formula C28H28F2N6O4 and a molecular weight of 550.57 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
PubChem CID142580759
Molecular FormulaC28H28F2N6O4
Molecular Weight550.57 g/mol
Exact Mass550.21
IUPAC NameN-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(=O)C(C)C)cn3n2)cc1C(=O)NCc1cc(F)cc(F)c1OCC1CC1
InChIInChI=1S/C28H28F2N6O4/c1-15(2)26(37)34-23-13-36-24(33-23)7-6-22(35-36)17-9-20(28(39-3)32-11-17)27(38)31-12-18-8-19(29)10-21(30)25(18)40-14-16-4-5-16/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H,31,38)(H,34,37)
InChIKeyWPXFPCKFGXLIET-UHFFFAOYSA-N
XLogP4.39
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.57
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide (CID 142580759) is N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(=O)C(C)C)cn3n2)cc1C(=O)NCc1cc(F)cc(F)c1OCC1CC1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide?
The InChIKey is WPXFPCKFGXLIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N6O4/c1-15(2)26(37)34-23-13-36-24(33-23)7-6-22(35-36)17-9-20(28(39-3)32-11-17)27(38)31-12-18-8-19(29)10-21(30)25(18)40-14-16-4-5-16/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H,31,38)(H,34,37).
What are the key properties of N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide?
N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide has a molecular weight of 550.57 g/mol, XLogP of 4.39, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(2-methylpropanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 142580759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).