4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide

C19H27FN6O — CID 157031288

IUPAC4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide
SMILESCC(F)CCC(=O)NCC1=CC2=NC(Cc3ccnn3C(C)C)CN2N=C1
InChIInChI=1S/C19H27FN6O/c1-13(2)26-17(6-7-22-26)9-16-12-25-18(24-16)8-15(11-23-25)10-21-19(27)5-4-14(3)20/h6-8,11,13-14,16H,4-5,9-10,12H2,1-3H3,(H,21,27)
InChIKeyMXXRMMSVLCCCBR-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.27
Rot. Bonds8

About 4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide

4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide (PubChem CID 157031288) has the molecular formula C19H27FN6O and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide.

Molecular Properties

Compound Name4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide
PubChem CID157031288
Molecular FormulaC19H27FN6O
Molecular Weight374.46 g/mol
Exact Mass374.22
IUPAC Name4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide
SMILESCC(F)CCC(=O)NCC1=CC2=NC(Cc3ccnn3C(C)C)CN2N=C1
InChIInChI=1S/C19H27FN6O/c1-13(2)26-17(6-7-22-26)9-16-12-25-18(24-16)8-15(11-23-25)10-21-19(27)5-4-14(3)20/h6-8,11,13-14,16H,4-5,9-10,12H2,1-3H3,(H,21,27)
InChIKeyMXXRMMSVLCCCBR-UHFFFAOYSA-N
XLogP2.27
TPSA74.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide?
The IUPAC name of 4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide (CID 157031288) is 4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide.
What is the SMILES notation for 4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide?
The canonical SMILES for 4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide is CC(F)CCC(=O)NCC1=CC2=NC(Cc3ccnn3C(C)C)CN2N=C1.
What is the InChIKey of 4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide?
The InChIKey is MXXRMMSVLCCCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6O/c1-13(2)26-17(6-7-22-26)9-16-12-25-18(24-16)8-15(11-23-25)10-21-19(27)5-4-14(3)20/h6-8,11,13-14,16H,4-5,9-10,12H2,1-3H3,(H,21,27).
What are the key properties of 4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide?
4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide has a molecular weight of 374.46 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide is sourced from PubChem (CID 157031288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).