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

C24H20F6N8 — CID 57446881

IUPAC3-[6-(cyclohexylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4nnc(NC5CCCCC5)cc4C(F)(F)F)cnc23)nc1
InChIInChI=1S/C24H20F6N8/c25-23(26,27)13-6-7-18(32-11-13)35-16-8-9-31-22-21(16)33-12-17(36-22)20-15(24(28,29)30)10-19(37-38-20)34-14-4-2-1-3-5-14/h6-12,14H,1-5H2,(H,34,37)(H,31,32,35,36)
InChIKeyHTIOAVUESPDMDN-UHFFFAOYSA-N
MW534.47 g/mol
LogP6.40
Rot. Bonds5

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

3-[6-(cyclohexylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 57446881) has the molecular formula C24H20F6N8 and a molecular weight of 534.47 g/mol. Its IUPAC name is 3-[6-(cyclohexylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-(cyclohexylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID57446881
Molecular FormulaC24H20F6N8
Molecular Weight534.47 g/mol
Exact Mass534.17
IUPAC Name3-[6-(cyclohexylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4nnc(NC5CCCCC5)cc4C(F)(F)F)cnc23)nc1
InChIInChI=1S/C24H20F6N8/c25-23(26,27)13-6-7-18(32-11-13)35-16-8-9-31-22-21(16)33-12-17(36-22)20-15(24(28,29)30)10-19(37-38-20)34-14-4-2-1-3-5-14/h6-12,14H,1-5H2,(H,34,37)(H,31,32,35,36)
InChIKeyHTIOAVUESPDMDN-UHFFFAOYSA-N
XLogP6.40
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.47
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclohexylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 3-[6-(cyclohexylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 57446881) is 3-[6-(cyclohexylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for 3-[6-(cyclohexylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 3-[6-(cyclohexylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is FC(F)(F)c1ccc(Nc2ccnc3nc(-c4nnc(NC5CCCCC5)cc4C(F)(F)F)cnc23)nc1.
What is the InChIKey of 3-[6-(cyclohexylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is HTIOAVUESPDMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N8/c25-23(26,27)13-6-7-18(32-11-13)35-16-8-9-31-22-21(16)33-12-17(36-22)20-15(24(28,29)30)10-19(37-38-20)34-14-4-2-1-3-5-14/h6-12,14H,1-5H2,(H,34,37)(H,31,32,35,36).
What are the key properties of 3-[6-(cyclohexylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-(cyclohexylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 534.47 g/mol, XLogP of 6.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclohexylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 57446881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).