N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

C26H26FN5O4 — CID 118643511

IUPACN-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCC(O)CO)cc(Oc4cccc(F)c4)nn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C26H26FN5O4/c1-15-9-16(5-8-21(15)26(35)30-18-6-7-18)23-13-29-25-22(28-12-19(34)14-33)11-24(31-32(23)25)36-20-4-2-3-17(27)10-20/h2-5,8-11,13,18-19,28,33-34H,6-7,12,14H2,1H3,(H,30,35)
InChIKeyUPWUIUXMCVXMAI-UHFFFAOYSA-N
MW491.52 g/mol
LogP3.29
Rot. Bonds9

About N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (PubChem CID 118643511) has the molecular formula C26H26FN5O4 and a molecular weight of 491.52 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
PubChem CID118643511
Molecular FormulaC26H26FN5O4
Molecular Weight491.52 g/mol
Exact Mass491.20
IUPAC NameN-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCC(O)CO)cc(Oc4cccc(F)c4)nn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C26H26FN5O4/c1-15-9-16(5-8-21(15)26(35)30-18-6-7-18)23-13-29-25-22(28-12-19(34)14-33)11-24(31-32(23)25)36-20-4-2-3-17(27)10-20/h2-5,8-11,13,18-19,28,33-34H,6-7,12,14H2,1H3,(H,30,35)
InChIKeyUPWUIUXMCVXMAI-UHFFFAOYSA-N
XLogP3.29
TPSA121.01 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (CID 118643511) is N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is Cc1cc(-c2cnc3c(NCC(O)CO)cc(Oc4cccc(F)c4)nn23)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The InChIKey is UPWUIUXMCVXMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4/c1-15-9-16(5-8-21(15)26(35)30-18-6-7-18)23-13-29-25-22(28-12-19(34)14-33)11-24(31-32(23)25)36-20-4-2-3-17(27)10-20/h2-5,8-11,13,18-19,28,33-34H,6-7,12,14H2,1H3,(H,30,35).
What are the key properties of N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 491.52 g/mol, XLogP of 3.29, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 118643511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).