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

C22H17ClF3N7 — CID 57446857

IUPAC7-(5-chloropyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncncc4Cl)ccc23)nc1N1CCCC1
InChIInChI=1S/C22H17ClF3N7/c23-15-11-27-12-29-19(15)17-5-3-13-16(7-8-28-20(13)31-17)30-18-6-4-14(22(24,25)26)21(32-18)33-9-1-2-10-33/h3-8,11-12H,1-2,9-10H2,(H,28,30,31,32)
InChIKeyPBEYYHSAHBRORB-UHFFFAOYSA-N
MW471.87 g/mol
LogP5.50
Rot. Bonds4

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

7-(5-chloropyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 57446857) has the molecular formula C22H17ClF3N7 and a molecular weight of 471.87 g/mol. Its IUPAC name is 7-(5-chloropyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name7-(5-chloropyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID57446857
Molecular FormulaC22H17ClF3N7
Molecular Weight471.87 g/mol
Exact Mass471.12
IUPAC Name7-(5-chloropyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncncc4Cl)ccc23)nc1N1CCCC1
InChIInChI=1S/C22H17ClF3N7/c23-15-11-27-12-29-19(15)17-5-3-13-16(7-8-28-20(13)31-17)30-18-6-4-14(22(24,25)26)21(32-18)33-9-1-2-10-33/h3-8,11-12H,1-2,9-10H2,(H,28,30,31,32)
InChIKeyPBEYYHSAHBRORB-UHFFFAOYSA-N
XLogP5.50
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.87
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloropyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 7-(5-chloropyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (CID 57446857) is 7-(5-chloropyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 7-(5-chloropyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 7-(5-chloropyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncncc4Cl)ccc23)nc1N1CCCC1.
What is the InChIKey of 7-(5-chloropyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is PBEYYHSAHBRORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N7/c23-15-11-27-12-29-19(15)17-5-3-13-16(7-8-28-20(13)31-17)30-18-6-4-14(22(24,25)26)21(32-18)33-9-1-2-10-33/h3-8,11-12H,1-2,9-10H2,(H,28,30,31,32).
What are the key properties of 7-(5-chloropyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
7-(5-chloropyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 471.87 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloropyrimidin-4-yl)-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 57446857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).