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

C29H31F6N9 — CID 57446874

IUPAC3-[6-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCCCN(CCC)C1CCN(c2cc(C(F)(F)F)c(-c3cnc4c(Nc5ccc(C(F)(F)F)cn5)ccnc4n3)nn2)CC1
InChIInChI=1S/C29H31F6N9/c1-3-11-43(12-4-2)19-8-13-44(14-9-19)24-15-20(29(33,34)35)25(42-41-24)22-17-38-26-21(7-10-36-27(26)40-22)39-23-6-5-18(16-37-23)28(30,31)32/h5-7,10,15-17,19H,3-4,8-9,11-14H2,1-2H3,(H,36,37,39,40)
InChIKeyHHLADWZYIYHVSY-UHFFFAOYSA-N
MW619.62 g/mol
LogP6.75
Rot. Bonds9

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

3-[6-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 57446874) has the molecular formula C29H31F6N9 and a molecular weight of 619.62 g/mol. Its IUPAC name is 3-[6-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID57446874
Molecular FormulaC29H31F6N9
Molecular Weight619.62 g/mol
Exact Mass619.26
IUPAC Name3-[6-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCCCN(CCC)C1CCN(c2cc(C(F)(F)F)c(-c3cnc4c(Nc5ccc(C(F)(F)F)cn5)ccnc4n3)nn2)CC1
InChIInChI=1S/C29H31F6N9/c1-3-11-43(12-4-2)19-8-13-44(14-9-19)24-15-20(29(33,34)35)25(42-41-24)22-17-38-26-21(7-10-36-27(26)40-22)39-23-6-5-18(16-37-23)28(30,31)32/h5-7,10,15-17,19H,3-4,8-9,11-14H2,1-2H3,(H,36,37,39,40)
InChIKeyHHLADWZYIYHVSY-UHFFFAOYSA-N
XLogP6.75
TPSA95.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.62
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[6-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 3-[6-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 57446874) is 3-[6-[4-(dipropylamino)piperidin-1-yl]-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-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 3-[6-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is CCCN(CCC)C1CCN(c2cc(C(F)(F)F)c(-c3cnc4c(Nc5ccc(C(F)(F)F)cn5)ccnc4n3)nn2)CC1.
What is the InChIKey of 3-[6-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is HHLADWZYIYHVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F6N9/c1-3-11-43(12-4-2)19-8-13-44(14-9-19)24-15-20(29(33,34)35)25(42-41-24)22-17-38-26-21(7-10-36-27(26)40-22)39-23-6-5-18(16-37-23)28(30,31)32/h5-7,10,15-17,19H,3-4,8-9,11-14H2,1-2H3,(H,36,37,39,40).
What are the key properties of 3-[6-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
3-[6-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 619.62 g/mol, XLogP of 6.75, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(dipropylamino)piperidin-1-yl]-4-(trifluoromethyl)pyridazin-3-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 57446874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).