2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine

C26H26ClFN6 — CID 146661761

IUPAC2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CCC(N4CCCC4)CC3)cc2n1
InChIInChI=1S/C26H26ClFN6/c27-17-3-4-22(28)20(13-17)26-21(16-30-32-26)23-5-6-24-25(31-23)14-19(15-29-24)34-11-7-18(8-12-34)33-9-1-2-10-33/h3-6,13-16,18H,1-2,7-12H2,(H,30,32)
InChIKeyWFMHCTSDTWHJEX-UHFFFAOYSA-N
MW476.99 g/mol
LogP5.54
Rot. Bonds4

About 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine

2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine (PubChem CID 146661761) has the molecular formula C26H26ClFN6 and a molecular weight of 476.99 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine
PubChem CID146661761
Molecular FormulaC26H26ClFN6
Molecular Weight476.99 g/mol
Exact Mass476.19
IUPAC Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CCC(N4CCCC4)CC3)cc2n1
InChIInChI=1S/C26H26ClFN6/c27-17-3-4-22(28)20(13-17)26-21(16-30-32-26)23-5-6-24-25(31-23)14-19(15-29-24)34-11-7-18(8-12-34)33-9-1-2-10-33/h3-6,13-16,18H,1-2,7-12H2,(H,30,32)
InChIKeyWFMHCTSDTWHJEX-UHFFFAOYSA-N
XLogP5.54
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.99
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine?
The IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine (CID 146661761) is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine?
The canonical SMILES for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine is Fc1ccc(Cl)cc1-c1[nH]ncc1-c1ccc2ncc(N3CCC(N4CCCC4)CC3)cc2n1.
What is the InChIKey of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine?
The InChIKey is WFMHCTSDTWHJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6/c27-17-3-4-22(28)20(13-17)26-21(16-30-32-26)23-5-6-24-25(31-23)14-19(15-29-24)34-11-7-18(8-12-34)33-9-1-2-10-33/h3-6,13-16,18H,1-2,7-12H2,(H,30,32).
What are the key properties of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine?
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine has a molecular weight of 476.99 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,5-naphthyridine is sourced from PubChem (CID 146661761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).