3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine

C21H16ClF3N8 — CID 57446855

IUPAC3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4nnccc4Cl)cnc23)nc1N1CCCC1
InChIInChI=1S/C21H16ClF3N8/c22-13-5-8-28-32-17(13)15-11-27-18-14(6-7-26-19(18)30-15)29-16-4-3-12(21(23,24)25)20(31-16)33-9-1-2-10-33/h3-8,11H,1-2,9-10H2,(H,26,29,30,31)
InChIKeySBVVUMUMNLDQOB-UHFFFAOYSA-N
MW472.86 g/mol
LogP4.89
Rot. Bonds4

About 3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine

3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 57446855) has the molecular formula C21H16ClF3N8 and a molecular weight of 472.86 g/mol. Its IUPAC name is 3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID57446855
Molecular FormulaC21H16ClF3N8
Molecular Weight472.86 g/mol
Exact Mass472.11
IUPAC Name3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4nnccc4Cl)cnc23)nc1N1CCCC1
InChIInChI=1S/C21H16ClF3N8/c22-13-5-8-28-32-17(13)15-11-27-18-14(6-7-26-19(18)30-15)29-16-4-3-12(21(23,24)25)20(31-16)33-9-1-2-10-33/h3-8,11H,1-2,9-10H2,(H,26,29,30,31)
InChIKeySBVVUMUMNLDQOB-UHFFFAOYSA-N
XLogP4.89
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.86
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine 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 3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 57446855) is 3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for 3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is FC(F)(F)c1ccc(Nc2ccnc3nc(-c4nnccc4Cl)cnc23)nc1N1CCCC1.
What is the InChIKey of 3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is SBVVUMUMNLDQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N8/c22-13-5-8-28-32-17(13)15-11-27-18-14(6-7-26-19(18)30-15)29-16-4-3-12(21(23,24)25)20(31-16)33-9-1-2-10-33/h3-8,11H,1-2,9-10H2,(H,26,29,30,31).
What are the key properties of 3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 472.86 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyridazin-3-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 57446855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).