N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

C26H29N7O2 — CID 118643539

IUPACN-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCCN(C)C)cc(Oc4cccnc4)nn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C26H29N7O2/c1-17-13-18(6-9-21(17)26(34)30-19-7-8-19)23-16-29-25-22(28-11-12-32(2)3)14-24(31-33(23)25)35-20-5-4-10-27-15-20/h4-6,9-10,13-16,19,28H,7-8,11-12H2,1-3H3,(H,30,34)
InChIKeyZXISLQBCBRBWJD-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.76
Rot. Bonds9

About N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (PubChem CID 118643539) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
PubChem CID118643539
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCCN(C)C)cc(Oc4cccnc4)nn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C26H29N7O2/c1-17-13-18(6-9-21(17)26(34)30-19-7-8-19)23-16-29-25-22(28-11-12-32(2)3)14-24(31-33(23)25)35-20-5-4-10-27-15-20/h4-6,9-10,13-16,19,28H,7-8,11-12H2,1-3H3,(H,30,34)
InChIKeyZXISLQBCBRBWJD-UHFFFAOYSA-N
XLogP3.76
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-4-[8-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 118643542
N-cyclopropyl-4-[6-(3-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66691054
N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 118643511
4-[6-bromo-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(6-fluoro-3-pyridinyl)oxy]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 158417982
N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 87112965
N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 78320750
N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66693927
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66691822
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66691900
2-[[6-bromo-3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]imidazo[1,2-b]pyridazin-8-yl]amino]ethanesulfonic acid
CID 87112998
4-[6-chloro-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 158953867
N-cyclopropyl-4-[6-(3-hydroxyanilino)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(3-methoxyanilino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 158965524

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (CID 118643539) is N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is Cc1cc(-c2cnc3c(NCCN(C)C)cc(Oc4cccnc4)nn23)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The InChIKey is ZXISLQBCBRBWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-17-13-18(6-9-21(17)26(34)30-19-7-8-19)23-16-29-25-22(28-11-12-32(2)3)14-24(31-33(23)25)35-20-5-4-10-27-15-20/h4-6,9-10,13-16,19,28H,7-8,11-12H2,1-3H3,(H,30,34).
What are the key properties of N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 471.57 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 118643539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).