7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine

C23H20F3N7 — CID 143270366

IUPAC7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCc1cncnc1-c1ccc2c(Nc3ccc(C(F)(F)F)c(N4CCCC4)n3)ccnc2n1
InChIInChI=1S/C23H20F3N7/c1-14-12-27-13-29-20(14)18-6-4-15-17(8-9-28-21(15)31-18)30-19-7-5-16(23(24,25)26)22(32-19)33-10-2-3-11-33/h4-9,12-13H,2-3,10-11H2,1H3,(H,28,30,31,32)
InChIKeyUNOIYEMXYKPQJV-UHFFFAOYSA-N
MW451.46 g/mol
LogP5.15
Rot. Bonds4

About 7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine

7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 143270366) has the molecular formula C23H20F3N7 and a molecular weight of 451.46 g/mol. Its IUPAC name is 7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID143270366
Molecular FormulaC23H20F3N7
Molecular Weight451.46 g/mol
Exact Mass451.17
IUPAC Name7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCc1cncnc1-c1ccc2c(Nc3ccc(C(F)(F)F)c(N4CCCC4)n3)ccnc2n1
InChIInChI=1S/C23H20F3N7/c1-14-12-27-13-29-20(14)18-6-4-15-17(8-9-28-21(15)31-18)30-19-7-5-16(23(24,25)26)22(32-19)33-10-2-3-11-33/h4-9,12-13H,2-3,10-11H2,1H3,(H,28,30,31,32)
InChIKeyUNOIYEMXYKPQJV-UHFFFAOYSA-N
XLogP5.15
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (CID 143270366) is 7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is Cc1cncnc1-c1ccc2c(Nc3ccc(C(F)(F)F)c(N4CCCC4)n3)ccnc2n1.
What is the InChIKey of 7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is UNOIYEMXYKPQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7/c1-14-12-27-13-29-20(14)18-6-4-15-17(8-9-28-21(15)31-18)30-19-7-5-16(23(24,25)26)22(32-19)33-10-2-3-11-33/h4-9,12-13H,2-3,10-11H2,1H3,(H,28,30,31,32).
What are the key properties of 7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 451.46 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylpyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 143270366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).