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

C27H26F2N6O4 — CID 154697491

IUPACN-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
SMILESCCC(=O)Nc1cn2nc(-c3cnc(OC)c(C(=O)NCc4cc(F)cc(F)c4OCC4CC4)c3)ccc2n1
InChIInChI=1S/C27H26F2N6O4/c1-3-24(36)33-22-13-35-23(32-22)7-6-21(34-35)16-9-19(27(38-2)31-11-16)26(37)30-12-17-8-18(28)10-20(29)25(17)39-14-15-4-5-15/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,30,37)(H,33,36)
InChIKeyWGGCMJCNPCVDNE-UHFFFAOYSA-N
MW536.54 g/mol
LogP4.15
Rot. Bonds10

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

N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide (PubChem CID 154697491) has the molecular formula C27H26F2N6O4 and a molecular weight of 536.54 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
PubChem CID154697491
Molecular FormulaC27H26F2N6O4
Molecular Weight536.54 g/mol
Exact Mass536.20
IUPAC NameN-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide
SMILESCCC(=O)Nc1cn2nc(-c3cnc(OC)c(C(=O)NCc4cc(F)cc(F)c4OCC4CC4)c3)ccc2n1
InChIInChI=1S/C27H26F2N6O4/c1-3-24(36)33-22-13-35-23(32-22)7-6-21(34-35)16-9-19(27(38-2)31-11-16)26(37)30-12-17-8-18(28)10-20(29)25(17)39-14-15-4-5-15/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,30,37)(H,33,36)
InChIKeyWGGCMJCNPCVDNE-UHFFFAOYSA-N
XLogP4.15
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.54
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)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-(propanoylamino)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-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide (CID 154697491) is N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)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-(propanoylamino)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-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide is CCC(=O)Nc1cn2nc(-c3cnc(OC)c(C(=O)NCc4cc(F)cc(F)c4OCC4CC4)c3)ccc2n1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide?
The InChIKey is WGGCMJCNPCVDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O4/c1-3-24(36)33-22-13-35-23(32-22)7-6-21(34-35)16-9-19(27(38-2)31-11-16)26(37)30-12-17-8-18(28)10-20(29)25(17)39-14-15-4-5-15/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,30,37)(H,33,36).
What are the key properties of N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide?
N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-5-[2-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide has a molecular weight of 536.54 g/mol, XLogP of 4.15, 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-(propanoylamino)imidazo[1,2-b]pyridazin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154697491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).