N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

C28H31N7O2 — CID 66691194

IUPACN-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCNC(=O)Nc1ccc(-c2cc(NCC(C)C)c3ncc(-c4ccc(C(=O)NC5CC5)cc4)n3n2)cc1
InChIInChI=1S/C28H31N7O2/c1-17(2)15-30-24-14-23(18-8-10-22(11-9-18)33-28(37)29-3)34-35-25(16-31-26(24)35)19-4-6-20(7-5-19)27(36)32-21-12-13-21/h4-11,14,16-17,21,30H,12-13,15H2,1-3H3,(H,32,36)(H2,29,33,37)
InChIKeyKYSKZBHLXGRLER-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.77
Rot. Bonds8

About N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 66691194) has the molecular formula C28H31N7O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID66691194
Molecular FormulaC28H31N7O2
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC NameN-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCNC(=O)Nc1ccc(-c2cc(NCC(C)C)c3ncc(-c4ccc(C(=O)NC5CC5)cc4)n3n2)cc1
InChIInChI=1S/C28H31N7O2/c1-17(2)15-30-24-14-23(18-8-10-22(11-9-18)33-28(37)29-3)34-35-25(16-31-26(24)35)19-4-6-20(7-5-19)27(36)32-21-12-13-21/h4-11,14,16-17,21,30H,12-13,15H2,1-3H3,(H,32,36)(H2,29,33,37)
InChIKeyKYSKZBHLXGRLER-UHFFFAOYSA-N
XLogP4.77
TPSA112.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide
CID 66695772
N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 66695708
N-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 66695638
N-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 66691598
N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 66603602
N-cyclopropyl-4-[6-[4-(2-cyclopropylacetyl)phenyl]-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 162002961
3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide
CID 67972903
N-cyclopropyl-4-[6-(4-ethenylphenyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57407262
2-chloro-N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 90256484
4-[6-chloro-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 158836573
N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57406684
4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 123258800

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 66691194) is N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide is CNC(=O)Nc1ccc(-c2cc(NCC(C)C)c3ncc(-c4ccc(C(=O)NC5CC5)cc4)n3n2)cc1.
What is the InChIKey of N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is KYSKZBHLXGRLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2/c1-17(2)15-30-24-14-23(18-8-10-22(11-9-18)33-28(37)29-3)34-35-25(16-31-26(24)35)19-4-6-20(7-5-19)27(36)32-21-12-13-21/h4-11,14,16-17,21,30H,12-13,15H2,1-3H3,(H,32,36)(H2,29,33,37).
What are the key properties of N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 497.60 g/mol, XLogP of 4.77, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 66691194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).