4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide

C22H26ClN5O2 — CID 123564263

IUPAC4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1CC(c2cnc3c(NCC4CCCO4)cc(Cl)nn23)=CC=C1C(=O)NC1CC1
InChIInChI=1S/C22H26ClN5O2/c1-13-9-14(4-7-17(13)22(29)26-15-5-6-15)19-12-25-21-18(10-20(23)27-28(19)21)24-11-16-3-2-8-30-16/h4,7,10,12-13,15-16,24H,2-3,5-6,8-9,11H2,1H3,(H,26,29)
InChIKeySZAHEXJOBSOJHN-UHFFFAOYSA-N
MW427.94 g/mol
LogP3.60
Rot. Bonds6

About 4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide

4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 123564263) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID123564263
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1CC(c2cnc3c(NCC4CCCO4)cc(Cl)nn23)=CC=C1C(=O)NC1CC1
InChIInChI=1S/C22H26ClN5O2/c1-13-9-14(4-7-17(13)22(29)26-15-5-6-15)19-12-25-21-18(10-20(23)27-28(19)21)24-11-16-3-2-8-30-16/h4,7,10,12-13,15-16,24H,2-3,5-6,8-9,11H2,1H3,(H,26,29)
InChIKeySZAHEXJOBSOJHN-UHFFFAOYSA-N
XLogP3.60
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 118643528
N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109226638
4-[6-chloro-8-[(3,3,3-trifluoro-2-hydroxypropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 87110347
N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 66603602
3-amino-N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzamide
CID 133164866
N-cyclopropyl-4-[8-(oxan-4-ylmethylamino)-6-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 66603863
N-cyclopropyl-4-[8-(oxolan-2-ylmethylamino)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90123620
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379867
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-2-hydroxy-4-[8-(oxan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381220
N-cyclopropyl-4-[6-[4-(2-cyclopropylacetyl)phenyl]-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 162002961

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide (CID 123564263) is 4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide is CC1CC(c2cnc3c(NCC4CCCO4)cc(Cl)nn23)=CC=C1C(=O)NC1CC1.
What is the InChIKey of 4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is SZAHEXJOBSOJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-13-9-14(4-7-17(13)22(29)26-15-5-6-15)19-12-25-21-18(10-20(23)27-28(19)21)24-11-16-3-2-8-30-16/h4,7,10,12-13,15-16,24H,2-3,5-6,8-9,11H2,1H3,(H,26,29).
What are the key properties of 4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide?
4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-8-(oxolan-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-6-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 123564263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).