(4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone

C23H25N7O3 — CID 118226953

IUPAC(4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone
SMILESCN1CCN(C(=O)c2ccc3ncc(-c4cc5c(N6CCOCC6)nccc5o4)n3n2)CC1
InChIInChI=1S/C23H25N7O3/c1-27-6-8-29(9-7-27)23(31)17-2-3-21-25-15-18(30(21)26-17)20-14-16-19(33-20)4-5-24-22(16)28-10-12-32-13-11-28/h2-5,14-15H,6-13H2,1H3
InChIKeyGRIUCHRPBVVMKI-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.76
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone

(4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone (PubChem CID 118226953) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone
PubChem CID118226953
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name(4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone
SMILESCN1CCN(C(=O)c2ccc3ncc(-c4cc5c(N6CCOCC6)nccc5o4)n3n2)CC1
InChIInChI=1S/C23H25N7O3/c1-27-6-8-29(9-7-27)23(31)17-2-3-21-25-15-18(30(21)26-17)20-14-16-19(33-20)4-5-24-22(16)28-10-12-32-13-11-28/h2-5,14-15H,6-13H2,1H3
InChIKeyGRIUCHRPBVVMKI-UHFFFAOYSA-N
XLogP1.76
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone (CID 118226953) is (4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone is CN1CCN(C(=O)c2ccc3ncc(-c4cc5c(N6CCOCC6)nccc5o4)n3n2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone?
The InChIKey is GRIUCHRPBVVMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-27-6-8-29(9-7-27)23(31)17-2-3-21-25-15-18(30(21)26-17)20-14-16-19(33-20)4-5-24-22(16)28-10-12-32-13-11-28/h2-5,14-15H,6-13H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone?
(4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone has a molecular weight of 447.50 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]methanone is sourced from PubChem (CID 118226953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).