4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine

C26H35N3O3 — CID 59000813

IUPAC4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine
SMILESCCCc1c(COCC)c(COCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12
InChIInChI=1S/C26H35N3O3/c1-4-10-24-22(18-30-5-2)23(19-31-6-3)26-21(20-11-8-7-9-12-20)17-25(27-29(24)26)28-13-15-32-16-14-28/h7-9,11-12,17H,4-6,10,13-16,18-19H2,1-3H3
InChIKeyQOCQRZJONJEJBT-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.86
Rot. Bonds10

About 4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine

4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine (PubChem CID 59000813) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine
PubChem CID59000813
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine
SMILESCCCc1c(COCC)c(COCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12
InChIInChI=1S/C26H35N3O3/c1-4-10-24-22(18-30-5-2)23(19-31-6-3)26-21(20-11-8-7-9-12-20)17-25(27-29(24)26)28-13-15-32-16-14-28/h7-9,11-12,17H,4-6,10,13-16,18-19H2,1-3H3
InChIKeyQOCQRZJONJEJBT-UHFFFAOYSA-N
XLogP4.86
TPSA48.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 7-[(dimethylamino)methyl]-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 59000760
diethyl 7-[3-(dimethylamino)propyl]-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 52942592
diethyl 2-morpholin-4-yl-4-phenyl-7-(2,2,2-trifluoroethyl)pyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 59000814
diethyl 7-[4-[bis(methylsulfonyl)amino]phenyl]-2-morpholin-4-yl-4-phenylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylate
CID 59000799
3-morpholin-4-yl-5-phenyl-1H-pyridazin-6-one
CID 11680448
4-(1-phenyl-5-propan-2-ylpyrazol-3-yl)morpholine
CID 11694700
4-(6-methyl-4-phenylquinolin-2-yl)morpholine
CID 39860405
ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate
CID 135564031
N,N-diethyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880527
4-(3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)morpholine
CID 11079290
[3-ethyl-1-(ethylcarbamoyloxymethyl)-6-morpholin-4-ylpyrrolo[2,1-a]phthalazin-2-yl]methyl N-ethylcarbamate
CID 155515507
2-[4-(5-methyl-3-phenylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-2-yl]ethanol
CID 156832106

Frequently Asked Questions

What is the IUPAC name of 4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine?
The IUPAC name of 4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine (CID 59000813) is 4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine.
What is the SMILES notation for 4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine?
The canonical SMILES for 4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine is CCCc1c(COCC)c(COCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12.
What is the InChIKey of 4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine?
The InChIKey is QOCQRZJONJEJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-4-10-24-22(18-30-5-2)23(19-31-6-3)26-21(20-11-8-7-9-12-20)17-25(27-29(24)26)28-13-15-32-16-14-28/h7-9,11-12,17H,4-6,10,13-16,18-19H2,1-3H3.
What are the key properties of 4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine?
4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine has a molecular weight of 437.58 g/mol, XLogP of 4.86, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-bis(ethoxymethyl)-4-phenyl-7-propylpyrrolo[1,2-b]pyridazin-2-yl]morpholine is sourced from PubChem (CID 59000813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).