2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide

C23H21F2N5O2S — CID 44552736

IUPAC2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc4nc(C5CC5)cn4n3)s2)c(F)c1
InChIInChI=1S/C23H21F2N5O2S/c1-23(2,32)12-7-14(24)20(15(25)8-12)17-9-13(21(26)31)22(33-17)28-18-5-6-19-27-16(11-3-4-11)10-30(19)29-18/h5-11,32H,3-4H2,1-2H3,(H2,26,31)(H,28,29)
InChIKeyFDLVZDZPJZMITF-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.68
Rot. Bonds6

About 2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide

2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (PubChem CID 44552736) has the molecular formula C23H21F2N5O2S and a molecular weight of 469.52 g/mol. Its IUPAC name is 2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
PubChem CID44552736
Molecular FormulaC23H21F2N5O2S
Molecular Weight469.52 g/mol
Exact Mass469.14
IUPAC Name2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc4nc(C5CC5)cn4n3)s2)c(F)c1
InChIInChI=1S/C23H21F2N5O2S/c1-23(2,32)12-7-14(24)20(15(25)8-12)17-9-13(21(26)31)22(33-17)28-18-5-6-19-27-16(11-3-4-11)10-30(19)29-18/h5-11,32H,3-4H2,1-2H3,(H2,26,31)(H,28,29)
InChIKeyFDLVZDZPJZMITF-UHFFFAOYSA-N
XLogP4.68
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (CID 44552736) is 2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc4nc(C5CC5)cn4n3)s2)c(F)c1.
What is the InChIKey of 2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is FDLVZDZPJZMITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O2S/c1-23(2,32)12-7-14(24)20(15(25)8-12)17-9-13(21(26)31)22(33-17)28-18-5-6-19-27-16(11-3-4-11)10-30(19)29-18/h5-11,32H,3-4H2,1-2H3,(H2,26,31)(H,28,29).
What are the key properties of 2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 44552736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).