3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol

C27H24FN7O — CID 134188759

IUPAC3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc(-c2cc(O)ccc2F)nc2ncccc12
InChIInChI=1S/C27H24FN7O/c28-24-4-3-19(36)11-23(24)25-12-21(20-2-1-7-31-27(20)34-25)22-10-16(13-32-26(22)29)17-14-33-35(15-17)18-5-8-30-9-6-18/h1-4,7,10-15,18,30,36H,5-6,8-9H2,(H2,29,32)
InChIKeyZPMSIHBDZPLOOX-UHFFFAOYSA-N
MW481.54 g/mol
LogP4.57
Rot. Bonds4

About 3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol

3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol (PubChem CID 134188759) has the molecular formula C27H24FN7O and a molecular weight of 481.54 g/mol. Its IUPAC name is 3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol.

Molecular Properties

Compound Name3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol
PubChem CID134188759
Molecular FormulaC27H24FN7O
Molecular Weight481.54 g/mol
Exact Mass481.20
IUPAC Name3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc(-c2cc(O)ccc2F)nc2ncccc12
InChIInChI=1S/C27H24FN7O/c28-24-4-3-19(36)11-23(24)25-12-21(20-2-1-7-31-27(20)34-25)22-10-16(13-32-26(22)29)17-14-33-35(15-17)18-5-8-30-9-6-18/h1-4,7,10-15,18,30,36H,5-6,8-9H2,(H2,29,32)
InChIKeyZPMSIHBDZPLOOX-UHFFFAOYSA-N
XLogP4.57
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.54
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol?
The IUPAC name of 3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol (CID 134188759) is 3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol.
What is the SMILES notation for 3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol?
The canonical SMILES for 3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc(-c2cc(O)ccc2F)nc2ncccc12.
What is the InChIKey of 3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol?
The InChIKey is ZPMSIHBDZPLOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O/c28-24-4-3-19(36)11-23(24)25-12-21(20-2-1-7-31-27(20)34-25)22-10-16(13-32-26(22)29)17-14-33-35(15-17)18-5-8-30-9-6-18/h1-4,7,10-15,18,30,36H,5-6,8-9H2,(H2,29,32).
What are the key properties of 3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol?
3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol has a molecular weight of 481.54 g/mol, XLogP of 4.57, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridin-2-yl]-4-fluorophenol is sourced from PubChem (CID 134188759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).