N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide

C24H25N7O3 — CID 71125471

IUPACN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)c(C)n1
InChIInChI=1S/C24H25N7O3/c1-4-30-12-18(15(3)28-30)24(33)25-19-11-17(8-5-14(19)2)34-22-10-9-21-26-20(13-31(21)29-22)27-23(32)16-6-7-16/h5,8-13,16H,4,6-7H2,1-3H3,(H,25,33)(H,27,32)
InChIKeyGFSMXWGJFVMYMB-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.96
Rot. Bonds7

About N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide

N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide (PubChem CID 71125471) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
PubChem CID71125471
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC NameN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)c(C)n1
InChIInChI=1S/C24H25N7O3/c1-4-30-12-18(15(3)28-30)24(33)25-19-11-17(8-5-14(19)2)34-22-10-9-21-26-20(13-31(21)29-22)27-23(32)16-6-7-16/h5,8-13,16H,4,6-7H2,1-3H3,(H,25,33)(H,27,32)
InChIKeyGFSMXWGJFVMYMB-UHFFFAOYSA-N
XLogP3.96
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
CID 70875087
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 24767979
N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 159570415
N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 25127857
N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]cyclopropanecarboxamide
CID 16824889
N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 143620601
N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-5-(ethylamino)-1,2-thiazole-3-carboxamide
CID 73335867
N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide
CID 162600212
tert-butyl N-[6-(3-amino-4-methylphenoxy)imidazo[1,2-b]pyridazin-2-yl]carbamate;tert-butyl N-(6-iodoimidazo[1,2-b]pyridazin-2-yl)carbamate
CID 160816264
1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide
CID 19474478
N-[6-[(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233255
methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19474420

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide (CID 71125471) is N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)c(C)n1.
What is the InChIKey of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The InChIKey is GFSMXWGJFVMYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-4-30-12-18(15(3)28-30)24(33)25-19-11-17(8-5-14(19)2)34-22-10-9-21-26-20(13-31(21)29-22)27-23(32)16-6-7-16/h5,8-13,16H,4,6-7H2,1-3H3,(H,25,33)(H,27,32).
What are the key properties of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 71125471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).