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

C23H18F6N8 — CID 57446861

IUPAC6-(pyrrolidin-1-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-[5-(trifluoromethyl)pyrimidin-4-yl]pyrido[2,3-b]pyrazin-8-amine
SMILESFC(F)(F)c1ccc(Nc2cc(CN3CCCC3)nc3nc(-c4ncncc4C(F)(F)F)cnc23)nc1
InChIInChI=1S/C23H18F6N8/c24-22(25,26)13-3-4-18(31-8-13)35-16-7-14(11-37-5-1-2-6-37)34-21-20(16)32-10-17(36-21)19-15(23(27,28)29)9-30-12-33-19/h3-4,7-10,12H,1-2,5-6,11H2,(H,31,34,35,36)
InChIKeyOBFOUMRVMGDHAF-UHFFFAOYSA-N
MW520.44 g/mol
LogP5.25
Rot. Bonds5

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

6-(pyrrolidin-1-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-[5-(trifluoromethyl)pyrimidin-4-yl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 57446861) has the molecular formula C23H18F6N8 and a molecular weight of 520.44 g/mol. Its IUPAC name is 6-(pyrrolidin-1-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-[5-(trifluoromethyl)pyrimidin-4-yl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name6-(pyrrolidin-1-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-[5-(trifluoromethyl)pyrimidin-4-yl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID57446861
Molecular FormulaC23H18F6N8
Molecular Weight520.44 g/mol
Exact Mass520.16
IUPAC Name6-(pyrrolidin-1-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-[5-(trifluoromethyl)pyrimidin-4-yl]pyrido[2,3-b]pyrazin-8-amine
SMILESFC(F)(F)c1ccc(Nc2cc(CN3CCCC3)nc3nc(-c4ncncc4C(F)(F)F)cnc23)nc1
InChIInChI=1S/C23H18F6N8/c24-22(25,26)13-3-4-18(31-8-13)35-16-7-14(11-37-5-1-2-6-37)34-21-20(16)32-10-17(36-21)19-15(23(27,28)29)9-30-12-33-19/h3-4,7-10,12H,1-2,5-6,11H2,(H,31,34,35,36)
InChIKeyOBFOUMRVMGDHAF-UHFFFAOYSA-N
XLogP5.25
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidin-1-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-[5-(trifluoromethyl)pyrimidin-4-yl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 6-(pyrrolidin-1-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-[5-(trifluoromethyl)pyrimidin-4-yl]pyrido[2,3-b]pyrazin-8-amine (CID 57446861) is 6-(pyrrolidin-1-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-[5-(trifluoromethyl)pyrimidin-4-yl]pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for 6-(pyrrolidin-1-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-[5-(trifluoromethyl)pyrimidin-4-yl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 6-(pyrrolidin-1-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-[5-(trifluoromethyl)pyrimidin-4-yl]pyrido[2,3-b]pyrazin-8-amine is FC(F)(F)c1ccc(Nc2cc(CN3CCCC3)nc3nc(-c4ncncc4C(F)(F)F)cnc23)nc1.
What is the InChIKey of 6-(pyrrolidin-1-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-[5-(trifluoromethyl)pyrimidin-4-yl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is OBFOUMRVMGDHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N8/c24-22(25,26)13-3-4-18(31-8-13)35-16-7-14(11-37-5-1-2-6-37)34-21-20(16)32-10-17(36-21)19-15(23(27,28)29)9-30-12-33-19/h3-4,7-10,12H,1-2,5-6,11H2,(H,31,34,35,36).
What are the key properties of 6-(pyrrolidin-1-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-[5-(trifluoromethyl)pyrimidin-4-yl]pyrido[2,3-b]pyrazin-8-amine?
6-(pyrrolidin-1-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-[5-(trifluoromethyl)pyrimidin-4-yl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 520.44 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-1-ylmethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-[5-(trifluoromethyl)pyrimidin-4-yl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 57446861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).