[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone

C22H21FN4O — CID 163348592

IUPAC[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1
InChIInChI=1S/C22H21FN4O/c23-19-10-18(11-24-13-19)22(28)27-7-5-15(6-8-27)20-4-3-16-9-17(14-1-2-14)12-25-21(16)26-20/h3-4,9-15H,1-2,5-8H2
InChIKeyQRUKHXGXILPFBL-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.06
Rot. Bonds3

About [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone

[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone (PubChem CID 163348592) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
PubChem CID163348592
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1
InChIInChI=1S/C22H21FN4O/c23-19-10-18(11-24-13-19)22(28)27-7-5-15(6-8-27)20-4-3-16-9-17(14-1-2-14)12-25-21(16)26-20/h3-4,9-15H,1-2,5-8H2
InChIKeyQRUKHXGXILPFBL-UHFFFAOYSA-N
XLogP4.06
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone (CID 163348592) is [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone is O=C(c1cncc(F)c1)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1.
What is the InChIKey of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is QRUKHXGXILPFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-19-10-18(11-24-13-19)22(28)27-7-5-15(6-8-27)20-4-3-16-9-17(14-1-2-14)12-25-21(16)26-20/h3-4,9-15H,1-2,5-8H2.
What are the key properties of [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 376.44 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 163348592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).