N-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide

C19H23F2N7O2 — CID 166825438

IUPACN-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NCc1cn2ncc(CNC(=O)CC(C)(F)F)cc2n1
InChIInChI=1S/C19H23F2N7O2/c1-12(2)28-15(4-5-24-28)18(30)23-10-14-11-27-16(26-14)6-13(9-25-27)8-22-17(29)7-19(3,20)21/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,22,29)(H,23,30)
InChIKeyJRTORSQWRKTYOA-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.10
Rot. Bonds8

About N-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide

N-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 166825438) has the molecular formula C19H23F2N7O2 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID166825438
Molecular FormulaC19H23F2N7O2
Molecular Weight419.44 g/mol
Exact Mass419.19
IUPAC NameN-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NCc1cn2ncc(CNC(=O)CC(C)(F)F)cc2n1
InChIInChI=1S/C19H23F2N7O2/c1-12(2)28-15(4-5-24-28)18(30)23-10-14-11-27-16(26-14)6-13(9-25-27)8-22-17(29)7-19(3,20)21/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,22,29)(H,23,30)
InChIKeyJRTORSQWRKTYOA-UHFFFAOYSA-N
XLogP2.10
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 166825438) is N-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)NCc1cn2ncc(CNC(=O)CC(C)(F)F)cc2n1.
What is the InChIKey of N-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is JRTORSQWRKTYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N7O2/c1-12(2)28-15(4-5-24-28)18(30)23-10-14-11-27-16(26-14)6-13(9-25-27)8-22-17(29)7-19(3,20)21/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,22,29)(H,23,30).
What are the key properties of N-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(3,3-difluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 166825438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).