(1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone

C18H25N5O — CID 155952111

IUPAC(1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone
SMILESCCC1(C(=O)N2CCC(Nc3ccc4nc(C)cn4n3)C2)CCC1
InChIInChI=1S/C18H25N5O/c1-3-18(8-4-9-18)17(24)22-10-7-14(12-22)20-15-5-6-16-19-13(2)11-23(16)21-15/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,20,21)
InChIKeyOAHBCYYVZMQXRX-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.63
Rot. Bonds4

About (1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone

(1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone (PubChem CID 155952111) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone
PubChem CID155952111
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone
SMILESCCC1(C(=O)N2CCC(Nc3ccc4nc(C)cn4n3)C2)CCC1
InChIInChI=1S/C18H25N5O/c1-3-18(8-4-9-18)17(24)22-10-7-14(12-22)20-15-5-6-16-19-13(2)11-23(16)21-15/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,20,21)
InChIKeyOAHBCYYVZMQXRX-UHFFFAOYSA-N
XLogP2.63
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone (CID 155952111) is (1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone is CCC1(C(=O)N2CCC(Nc3ccc4nc(C)cn4n3)C2)CCC1.
What is the InChIKey of (1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone?
The InChIKey is OAHBCYYVZMQXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-18(8-4-9-18)17(24)22-10-7-14(12-22)20-15-5-6-16-19-13(2)11-23(16)21-15/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,20,21).
What are the key properties of (1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone?
(1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclobutyl)-[3-[(2-methylimidazo[1,2-b]pyridazin-6-yl)amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 155952111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).