6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C21H25F3N6O2 — CID 139508074

IUPAC6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-c2cnc3cc(C(F)F)cnn23)ncc1C(=O)NC[C@H](F)C(C)(C)O
InChIInChI=1S/C21H25F3N6O2/c1-11(2)29-14-6-15(16-9-26-18-5-12(19(23)24)7-28-30(16)18)25-8-13(14)20(31)27-10-17(22)21(3,4)32/h5-9,11,17,19,32H,10H2,1-4H3,(H,25,29)(H,27,31)/t17-/m0/s1
InChIKeyFDKHHSDKTLVWCC-KRWDZBQOSA-N
MW450.47 g/mol
LogP3.39
Rot. Bonds8

About 6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 139508074) has the molecular formula C21H25F3N6O2 and a molecular weight of 450.47 g/mol. Its IUPAC name is 6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID139508074
Molecular FormulaC21H25F3N6O2
Molecular Weight450.47 g/mol
Exact Mass450.20
IUPAC Name6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-c2cnc3cc(C(F)F)cnn23)ncc1C(=O)NC[C@H](F)C(C)(C)O
InChIInChI=1S/C21H25F3N6O2/c1-11(2)29-14-6-15(16-9-26-18-5-12(19(23)24)7-28-30(16)18)25-8-13(14)20(31)27-10-17(22)21(3,4)32/h5-9,11,17,19,32H,10H2,1-4H3,(H,25,29)(H,27,31)/t17-/m0/s1
InChIKeyFDKHHSDKTLVWCC-KRWDZBQOSA-N
XLogP3.39
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 139508074) is 6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-c2cnc3cc(C(F)F)cnn23)ncc1C(=O)NC[C@H](F)C(C)(C)O.
What is the InChIKey of 6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is FDKHHSDKTLVWCC-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25F3N6O2/c1-11(2)29-14-6-15(16-9-26-18-5-12(19(23)24)7-28-30(16)18)25-8-13(14)20(31)27-10-17(22)21(3,4)32/h5-9,11,17,19,32H,10H2,1-4H3,(H,25,29)(H,27,31)/t17-/m0/s1.
What are the key properties of 6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 139508074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).