6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine

C22H21N5O3 — CID 166827416

IUPAC6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine
SMILESCOc1ncc(-c2cc([C@H]3CC3c3ccccc3OC)c3nccn3n2)c(OC)n1
InChIInChI=1S/C22H21N5O3/c1-28-19-7-5-4-6-13(19)14-10-15(14)16-11-18(26-27-9-8-23-20(16)27)17-12-24-22(30-3)25-21(17)29-2/h4-9,11-12,14-15H,10H2,1-3H3/t14?,15-/m0/s1
InChIKeyKBYVLEIVEJUTEA-LOACHALJSA-N
MW403.44 g/mol
LogP3.48
Rot. Bonds6

About 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine

6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine (PubChem CID 166827416) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine
PubChem CID166827416
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine
SMILESCOc1ncc(-c2cc([C@H]3CC3c3ccccc3OC)c3nccn3n2)c(OC)n1
InChIInChI=1S/C22H21N5O3/c1-28-19-7-5-4-6-13(19)14-10-15(14)16-11-18(26-27-9-8-23-20(16)27)17-12-24-22(30-3)25-21(17)29-2/h4-9,11-12,14-15H,10H2,1-3H3/t14?,15-/m0/s1
InChIKeyKBYVLEIVEJUTEA-LOACHALJSA-N
XLogP3.48
TPSA83.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine (CID 166827416) is 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine is COc1ncc(-c2cc([C@H]3CC3c3ccccc3OC)c3nccn3n2)c(OC)n1.
What is the InChIKey of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine?
The InChIKey is KBYVLEIVEJUTEA-LOACHALJSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-28-19-7-5-4-6-13(19)14-10-15(14)16-11-18(26-27-9-8-23-20(16)27)17-12-24-22(30-3)25-21(17)29-2/h4-9,11-12,14-15H,10H2,1-3H3/t14?,15-/m0/s1.
What are the key properties of 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine?
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine has a molecular weight of 403.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S)-2-(2-methoxyphenyl)cyclopropyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 166827416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).