tert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate

C22H24N6O2 — CID 138500293

IUPACtert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)C1
InChIInChI=1S/C22H24N6O2/c1-22(2,3)30-21(29)27-10-7-14(13-27)18-11-16-15(6-9-23-20(16)26-18)17-12-25-28-19(17)5-4-8-24-28/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,23,26)
InChIKeyINBVJLOENDWCKQ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.00
Rot. Bonds2

About tert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate (PubChem CID 138500293) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is tert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate
PubChem CID138500293
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Nametert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)C1
InChIInChI=1S/C22H24N6O2/c1-22(2,3)30-21(29)27-10-7-14(13-27)18-11-16-15(6-9-23-20(16)26-18)17-12-25-28-19(17)5-4-8-24-28/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,23,26)
InChIKeyINBVJLOENDWCKQ-UHFFFAOYSA-N
XLogP4.00
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate (CID 138500293) is tert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc3c(-c4cnn5ncccc45)ccnc3[nH]2)C1.
What is the InChIKey of tert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is INBVJLOENDWCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-22(2,3)30-21(29)27-10-7-14(13-27)18-11-16-15(6-9-23-20(16)26-18)17-12-25-28-19(17)5-4-8-24-28/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 138500293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).