3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine

C24H17F6N9 — CID 143270336

IUPAC3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine
SMILESFC(F)(F)C1=CC=C(Nc2ccnc3nc(-c4nnc(NCc5ccccn5)cc4C(F)(F)F)cnc23)NC1
InChIInChI=1S/C24H17F6N9/c25-23(26,27)13-4-5-18(33-10-13)36-16-6-8-32-22-21(16)35-12-17(37-22)20-15(24(28,29)30)9-19(38-39-20)34-11-14-3-1-2-7-31-14/h1-9,12,33H,10-11H2,(H,34,38)(H,32,36,37)
InChIKeyITTISSCHZQRXGT-UHFFFAOYSA-N
MW545.45 g/mol
LogP4.85
Rot. Bonds6

About 3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine

3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 143270336) has the molecular formula C24H17F6N9 and a molecular weight of 545.45 g/mol. Its IUPAC name is 3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID143270336
Molecular FormulaC24H17F6N9
Molecular Weight545.45 g/mol
Exact Mass545.15
IUPAC Name3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine
SMILESFC(F)(F)C1=CC=C(Nc2ccnc3nc(-c4nnc(NCc5ccccn5)cc4C(F)(F)F)cnc23)NC1
InChIInChI=1S/C24H17F6N9/c25-23(26,27)13-4-5-18(33-10-13)36-16-6-8-32-22-21(16)35-12-17(37-22)20-15(24(28,29)30)9-19(38-39-20)34-11-14-3-1-2-7-31-14/h1-9,12,33H,10-11H2,(H,34,38)(H,32,36,37)
InChIKeyITTISSCHZQRXGT-UHFFFAOYSA-N
XLogP4.85
TPSA113.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.45
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine with MolForge

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Related Compounds

3-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
CID 58645503
3-[6-(propylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
CID 58645627
3-[6-(pentylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
CID 58645684
3-[6-(propan-2-ylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
CID 58645679
2-amino-2-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]acetamide
CID 87303490
N'-ethyl-N-methyl-N'-[5-(trifluoromethyl)-6-[8-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridazin-3-yl]ethane-1,2-diamine
CID 143215475
2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112893358
2-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893270
2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine
CID 70795723
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893269
5-(trifluoromethyl)-6-[8-[[6-(trifluoromethyl)-4,5-dihydro-3H-azepin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-2-carbonitrile
CID 143215441
2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 44562903

Frequently Asked Questions

What is the IUPAC name of 3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine (CID 143270336) is 3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for 3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine is FC(F)(F)C1=CC=C(Nc2ccnc3nc(-c4nnc(NCc5ccccn5)cc4C(F)(F)F)cnc23)NC1.
What is the InChIKey of 3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is ITTISSCHZQRXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F6N9/c25-23(26,27)13-4-5-18(33-10-13)36-16-6-8-32-22-21(16)35-12-17(37-22)20-15(24(28,29)30)9-19(38-39-20)34-11-14-3-1-2-7-31-14/h1-9,12,33H,10-11H2,(H,34,38)(H,32,36,37).
What are the key properties of 3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 545.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(pyridin-2-ylmethylamino)-4-(trifluoromethyl)pyridazin-3-yl]-N-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 143270336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).