N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C22H20N6O3S — CID 24767977

IUPACN-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)s1
InChIInChI=1S/C22H20N6O3S/c1-12-20(32-13(2)23-12)22(30)24-15-4-3-5-16(10-15)31-19-9-8-18-25-17(11-28(18)27-19)26-21(29)14-6-7-14/h3-5,8-11,14H,6-7H2,1-2H3,(H,24,30)(H,26,29)
InChIKeyARDSTHOJPJJMLR-UHFFFAOYSA-N
MW448.51 g/mol
LogP4.20
Rot. Bonds6

About N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 24767977) has the molecular formula C22H20N6O3S and a molecular weight of 448.51 g/mol. Its IUPAC name is N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID24767977
Molecular FormulaC22H20N6O3S
Molecular Weight448.51 g/mol
Exact Mass448.13
IUPAC NameN-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)s1
InChIInChI=1S/C22H20N6O3S/c1-12-20(32-13(2)23-12)22(30)24-15-4-3-5-16(10-15)31-19-9-8-18-25-17(11-28(18)27-19)26-21(29)14-6-7-14/h3-5,8-11,14H,6-7H2,1-2H3,(H,24,30)(H,26,29)
InChIKeyARDSTHOJPJJMLR-UHFFFAOYSA-N
XLogP4.20
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 24767977) is N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)s1.
What is the InChIKey of N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is ARDSTHOJPJJMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3S/c1-12-20(32-13(2)23-12)22(30)24-15-4-3-5-16(10-15)31-19-9-8-18-25-17(11-28(18)27-19)26-21(29)14-6-7-14/h3-5,8-11,14H,6-7H2,1-2H3,(H,24,30)(H,26,29).
What are the key properties of N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 448.51 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24767977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).