7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide

C25H27N5O4 — CID 178115778

IUPAC7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide
SMILESCNC(=O)c1c(C)cc2cc(Oc3ccnn4cc(C(=O)N5C[C@@](C)(O)[C@H]5C)c(C)c34)ccn12
InChIInChI=1S/C25H27N5O4/c1-14-10-17-11-18(7-9-28(17)21(14)23(31)26-5)34-20-6-8-27-30-12-19(15(2)22(20)30)24(32)29-13-25(4,33)16(29)3/h6-12,16,33H,13H2,1-5H3,(H,26,31)/t16-,25-/m1/s1
InChIKeyATBYFSGCJICWGX-PUAOIOHZSA-N
MW461.52 g/mol
LogP2.95
Rot. Bonds4

About 7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide

7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide (PubChem CID 178115778) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide.

Molecular Properties

Compound Name7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide
PubChem CID178115778
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide
SMILESCNC(=O)c1c(C)cc2cc(Oc3ccnn4cc(C(=O)N5C[C@@](C)(O)[C@H]5C)c(C)c34)ccn12
InChIInChI=1S/C25H27N5O4/c1-14-10-17-11-18(7-9-28(17)21(14)23(31)26-5)34-20-6-8-27-30-12-19(15(2)22(20)30)24(32)29-13-25(4,33)16(29)3/h6-12,16,33H,13H2,1-5H3,(H,26,31)/t16-,25-/m1/s1
InChIKeyATBYFSGCJICWGX-PUAOIOHZSA-N
XLogP2.95
TPSA100.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide with MolForge

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Related Compounds

N,2-dimethyl-7-[5-methyl-6-(3-methylpyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide
CID 178115439
N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide
CID 178115472
6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide
CID 178115347
[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[1,2-b]pyridazin-6-yl]methanone
CID 178114785
N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide
CID 178114737
1-cyclopropyl-3-[2-methyl-4-[5-methyl-6-(2-methylazetidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]urea
CID 178115269
N-cyclobutyl-6-[6-[(2R,3R)-3-hydroxy-2-methylpyrrolidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxynaphthalene-1-carboxamide
CID 178115558
N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 178115018
ethane;5-[6-(3-hydroxy-2-methylazetidine-1-carbonyl)-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-2-methylindole-1-carbaldehyde;N-methylcyclopropanamine
CID 178114948
6-[6-(8-azabicyclo[3.2.1]octane-3-carbonyl)-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178114805
[4-[3-chloro-4-(cyclopropylamino)phenoxy]-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-hydroxy-2-methylpyrrolidin-1-yl)methanone;formamide
CID 178115296
6-[6-[3-[[(Z)-3-aminoprop-2-enylidene]amino]azetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178114893

Frequently Asked Questions

What is the IUPAC name of 7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide?
The IUPAC name of 7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide (CID 178115778) is 7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide.
What is the SMILES notation for 7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide?
The canonical SMILES for 7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide is CNC(=O)c1c(C)cc2cc(Oc3ccnn4cc(C(=O)N5C[C@@](C)(O)[C@H]5C)c(C)c34)ccn12.
What is the InChIKey of 7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide?
The InChIKey is ATBYFSGCJICWGX-PUAOIOHZSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-14-10-17-11-18(7-9-28(17)21(14)23(31)26-5)34-20-6-8-27-30-12-19(15(2)22(20)30)24(32)29-13-25(4,33)16(29)3/h6-12,16,33H,13H2,1-5H3,(H,26,31)/t16-,25-/m1/s1.
What are the key properties of 7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide?
7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[(2R,3R)-3-hydroxy-2,3-dimethylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethylindolizine-3-carboxamide is sourced from PubChem (CID 178115778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).