[4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone

C23H31N7O — CID 151962972

IUPAC[4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
SMILESNC1CCC(C2(N)C=C(Nc3ccc(C(=O)N4CCCC4)cc3)c3nccn3N2)CC1
InChIInChI=1S/C23H31N7O/c24-18-7-5-17(6-8-18)23(25)15-20(21-26-11-14-30(21)28-23)27-19-9-3-16(4-10-19)22(31)29-12-1-2-13-29/h3-4,9-11,14-15,17-18,27-28H,1-2,5-8,12-13,24-25H2
InChIKeyTZAYVAYGPISLSC-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.30
Rot. Bonds4

About [4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone

[4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 151962972) has the molecular formula C23H31N7O and a molecular weight of 421.55 g/mol. Its IUPAC name is [4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID151962972
Molecular FormulaC23H31N7O
Molecular Weight421.55 g/mol
Exact Mass421.26
IUPAC Name[4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
SMILESNC1CCC(C2(N)C=C(Nc3ccc(C(=O)N4CCCC4)cc3)c3nccn3N2)CC1
InChIInChI=1S/C23H31N7O/c24-18-7-5-17(6-8-18)23(25)15-20(21-26-11-14-30(21)28-23)27-19-9-3-16(4-10-19)22(31)29-12-1-2-13-29/h3-4,9-11,14-15,17-18,27-28H,1-2,5-8,12-13,24-25H2
InChIKeyTZAYVAYGPISLSC-UHFFFAOYSA-N
XLogP2.30
TPSA114.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone (CID 151962972) is [4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone is NC1CCC(C2(N)C=C(Nc3ccc(C(=O)N4CCCC4)cc3)c3nccn3N2)CC1.
What is the InChIKey of [4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is TZAYVAYGPISLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O/c24-18-7-5-17(6-8-18)23(25)15-20(21-26-11-14-30(21)28-23)27-19-9-3-16(4-10-19)22(31)29-12-1-2-13-29/h3-4,9-11,14-15,17-18,27-28H,1-2,5-8,12-13,24-25H2.
What are the key properties of [4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 421.55 g/mol, XLogP of 2.30, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-amino-6-(4-aminocyclohexyl)-5H-imidazo[1,2-b]pyridazin-8-yl]amino]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 151962972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).