3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C27H23ClFN7 — CID 53344957

IUPAC3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C27H23ClFN7/c28-18-3-4-24(29)23(11-18)25-12-21(20-2-1-7-32-27(20)35-25)22-10-16(13-33-26(22)30)17-14-34-36(15-17)19-5-8-31-9-6-19/h1-4,7,10-15,19,31H,5-6,8-9H2,(H2,30,33)
InChIKeyGAXDIHUAUVBHED-UHFFFAOYSA-N
MW499.98 g/mol
LogP5.52
Rot. Bonds4

About 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 53344957) has the molecular formula C27H23ClFN7 and a molecular weight of 499.98 g/mol. Its IUPAC name is 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID53344957
Molecular FormulaC27H23ClFN7
Molecular Weight499.98 g/mol
Exact Mass499.17
IUPAC Name3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C27H23ClFN7/c28-18-3-4-24(29)23(11-18)25-12-21(20-2-1-7-32-27(20)35-25)22-10-16(13-33-26(22)30)17-14-34-36(15-17)19-5-8-31-9-6-19/h1-4,7,10-15,19,31H,5-6,8-9H2,(H2,30,33)
InChIKeyGAXDIHUAUVBHED-UHFFFAOYSA-N
XLogP5.52
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.98
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 53344957) is 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc(-c2cc(Cl)ccc2F)nc2ncccc12.
What is the InChIKey of 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is GAXDIHUAUVBHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN7/c28-18-3-4-24(29)23(11-18)25-12-21(20-2-1-7-32-27(20)35-25)22-10-16(13-33-26(22)30)17-14-34-36(15-17)19-5-8-31-9-6-19/h1-4,7,10-15,19,31H,5-6,8-9H2,(H2,30,33).
What are the key properties of 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 499.98 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 53344957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).