2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine

C22H21FN6 — CID 162653690

IUPAC2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)c2ccc(-c3cccc(F)c3)nc12
InChIInChI=1S/C22H21FN6/c23-16-3-1-2-14(10-16)20-5-4-18-19(12-26-22(24)21(18)28-20)15-11-27-29(13-15)17-6-8-25-9-7-17/h1-5,10-13,17,25H,6-9H2,(H2,24,26)
InChIKeySBMRKNIYXGMRRJ-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.81
Rot. Bonds3

About 2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine

2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine (PubChem CID 162653690) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine
PubChem CID162653690
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)c2ccc(-c3cccc(F)c3)nc12
InChIInChI=1S/C22H21FN6/c23-16-3-1-2-14(10-16)20-5-4-18-19(12-26-22(24)21(18)28-20)15-11-27-29(13-15)17-6-8-25-9-7-17/h1-5,10-13,17,25H,6-9H2,(H2,24,26)
InChIKeySBMRKNIYXGMRRJ-UHFFFAOYSA-N
XLogP3.81
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine?
The IUPAC name of 2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine (CID 162653690) is 2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine?
The canonical SMILES for 2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)c2ccc(-c3cccc(F)c3)nc12.
What is the InChIKey of 2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine?
The InChIKey is SBMRKNIYXGMRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c23-16-3-1-2-14(10-16)20-5-4-18-19(12-26-22(24)21(18)28-20)15-11-27-29(13-15)17-6-8-25-9-7-17/h1-5,10-13,17,25H,6-9H2,(H2,24,26).
What are the key properties of 2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine?
2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine has a molecular weight of 388.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1,7-naphthyridin-8-amine is sourced from PubChem (CID 162653690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).