cyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

C21H21F3N6O — CID 164572990

IUPACcyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(C1CC1)N1C2CCC1CN(c1ccnn3cc(-c4cnn(C(F)(F)F)c4)cc13)C2
InChIInChI=1S/C21H21F3N6O/c22-21(23,24)29-10-15(8-26-29)14-7-19-18(5-6-25-28(19)9-14)27-11-16-3-4-17(12-27)30(16)20(31)13-1-2-13/h5-10,13,16-17H,1-4,11-12H2
InChIKeyUCFRYBBGIDPMSL-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.26
Rot. Bonds3

About cyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

cyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 164572990) has the molecular formula C21H21F3N6O and a molecular weight of 430.43 g/mol. Its IUPAC name is cyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID164572990
Molecular FormulaC21H21F3N6O
Molecular Weight430.43 g/mol
Exact Mass430.17
IUPAC Namecyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(C1CC1)N1C2CCC1CN(c1ccnn3cc(-c4cnn(C(F)(F)F)c4)cc13)C2
InChIInChI=1S/C21H21F3N6O/c22-21(23,24)29-10-15(8-26-29)14-7-19-18(5-6-25-28(19)9-14)27-11-16-3-4-17(12-27)30(16)20(31)13-1-2-13/h5-10,13,16-17H,1-4,11-12H2
InChIKeyUCFRYBBGIDPMSL-UHFFFAOYSA-N
XLogP3.26
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone 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 cyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of cyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone (CID 164572990) is cyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone is O=C(C1CC1)N1C2CCC1CN(c1ccnn3cc(-c4cnn(C(F)(F)F)c4)cc13)C2.
What is the InChIKey of cyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is UCFRYBBGIDPMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O/c22-21(23,24)29-10-15(8-26-29)14-7-19-18(5-6-25-28(19)9-14)27-11-16-3-4-17(12-27)30(16)20(31)13-1-2-13/h5-10,13,16-17H,1-4,11-12H2.
What are the key properties of cyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?
cyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 430.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 164572990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).