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

C25H22F6N8 — CID 57446883

IUPAC3-[6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCCCN(CC1CC1)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C25H22F6N8/c1-2-9-39(13-14-3-4-14)20-10-16(25(29,30)31)21(38-37-20)18-12-34-22-17(7-8-32-23(22)36-18)35-19-6-5-15(11-33-19)24(26,27)28/h5-8,10-12,14H,2-4,9,13H2,1H3,(H,32,33,35,36)
InChIKeySLOCXLMCNAGJNN-UHFFFAOYSA-N
MW548.50 g/mol
LogP6.28
Rot. Bonds8

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

3-[6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 57446883) has the molecular formula C25H22F6N8 and a molecular weight of 548.50 g/mol. Its IUPAC name is 3-[6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID57446883
Molecular FormulaC25H22F6N8
Molecular Weight548.50 g/mol
Exact Mass548.19
IUPAC Name3-[6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCCCN(CC1CC1)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1
InChIInChI=1S/C25H22F6N8/c1-2-9-39(13-14-3-4-14)20-10-16(25(29,30)31)21(38-37-20)18-12-34-22-17(7-8-32-23(22)36-18)35-19-6-5-15(11-33-19)24(26,27)28/h5-8,10-12,14H,2-4,9,13H2,1H3,(H,32,33,35,36)
InChIKeySLOCXLMCNAGJNN-UHFFFAOYSA-N
XLogP6.28
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.50
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 3-[6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 57446883) is 3-[6-[cyclopropylmethyl(propyl)amino]-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-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 3-[6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is CCCN(CC1CC1)c1cc(C(F)(F)F)c(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)nn1.
What is the InChIKey of 3-[6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is SLOCXLMCNAGJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F6N8/c1-2-9-39(13-14-3-4-14)20-10-16(25(29,30)31)21(38-37-20)18-12-34-22-17(7-8-32-23(22)36-18)35-19-6-5-15(11-33-19)24(26,27)28/h5-8,10-12,14H,2-4,9,13H2,1H3,(H,32,33,35,36).
What are the key properties of 3-[6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 548.50 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[cyclopropylmethyl(propyl)amino]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 57446883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).