5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide

C27H27FN6O4 — CID 155074300

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NC(C)c1c(F)cccc1OCC1CC1
InChIInChI=1S/C27H27FN6O4/c1-15(25-20(28)5-4-6-22(25)38-14-17-7-8-17)30-26(36)19-11-18(12-29-27(19)37-3)21-9-10-24-32-23(31-16(2)35)13-34(24)33-21/h4-6,9-13,15,17H,7-8,14H2,1-3H3,(H,30,36)(H,31,35)
InChIKeyXOMQSZKURBYULJ-UHFFFAOYSA-N
MW518.55 g/mol
LogP4.18
Rot. Bonds9

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide (PubChem CID 155074300) has the molecular formula C27H27FN6O4 and a molecular weight of 518.55 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide
PubChem CID155074300
Molecular FormulaC27H27FN6O4
Molecular Weight518.55 g/mol
Exact Mass518.21
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NC(C)c1c(F)cccc1OCC1CC1
InChIInChI=1S/C27H27FN6O4/c1-15(25-20(28)5-4-6-22(25)38-14-17-7-8-17)30-26(36)19-11-18(12-29-27(19)37-3)21-9-10-24-32-23(31-16(2)35)13-34(24)33-21/h4-6,9-13,15,17H,7-8,14H2,1-3H3,(H,30,36)(H,31,35)
InChIKeyXOMQSZKURBYULJ-UHFFFAOYSA-N
XLogP4.18
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.55
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide (CID 155074300) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NC(C)c1c(F)cccc1OCC1CC1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is XOMQSZKURBYULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O4/c1-15(25-20(28)5-4-6-22(25)38-14-17-7-8-17)30-26(36)19-11-18(12-29-27(19)37-3)21-9-10-24-32-23(31-16(2)35)13-34(24)33-21/h4-6,9-13,15,17H,7-8,14H2,1-3H3,(H,30,36)(H,31,35).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 518.55 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[1-[2-(cyclopropylmethoxy)-6-fluorophenyl]ethyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155074300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).