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

C26H27N5O2 — CID 66695638

IUPACN-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCC(C)CNc1cc(-c2cccc(O)c2)nn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C26H27N5O2/c1-16(2)14-27-23-13-22(19-4-3-5-21(32)12-19)30-31-24(15-28-25(23)31)17-6-8-18(9-7-17)26(33)29-20-10-11-20/h3-9,12-13,15-16,20,27,32H,10-11,14H2,1-2H3,(H,29,33)
InChIKeyXCZUMGSEZZLGET-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.73
Rot. Bonds7

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

N-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 66695638) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID66695638
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCC(C)CNc1cc(-c2cccc(O)c2)nn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C26H27N5O2/c1-16(2)14-27-23-13-22(19-4-3-5-21(32)12-19)30-31-24(15-28-25(23)31)17-6-8-18(9-7-17)26(33)29-20-10-11-20/h3-9,12-13,15-16,20,27,32H,10-11,14H2,1-2H3,(H,29,33)
InChIKeyXCZUMGSEZZLGET-UHFFFAOYSA-N
XLogP4.73
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-[8-(2-methylpropylamino)-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 66695708
4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylbenzamide
CID 66695772
N-cyclopropyl-4-[6-[4-(methylcarbamoylamino)phenyl]-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 66691194
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-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57406684
N-cyclopropyl-4-[6-[4-(2-cyclopropylacetyl)phenyl]-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 162002961
2-[3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetic acid
CID 57382783
N-cyclopropyl-4-[8-(2-methylpropylamino)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57382318
3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide
CID 67972903
4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 123258800
2-chloro-N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 90256484

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 66695638) is N-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide is CC(C)CNc1cc(-c2cccc(O)c2)nn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is XCZUMGSEZZLGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-16(2)14-27-23-13-22(19-4-3-5-21(32)12-19)30-31-24(15-28-25(23)31)17-6-8-18(9-7-17)26(33)29-20-10-11-20/h3-9,12-13,15-16,20,27,32H,10-11,14H2,1-2H3,(H,29,33).
What are the key properties of N-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
N-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 441.54 g/mol, XLogP of 4.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(3-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 66695638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).