N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide

C23H25F3N6O — CID 138590018

IUPACN-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnn(C4CC4)c3)ncc2cn1)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C23H25F3N6O/c24-23(25,26)5-8-31-6-3-15(4-7-31)22(33)30-21-10-16-9-20(27-11-17(16)12-28-21)18-13-29-32(14-18)19-1-2-19/h9-15,19H,1-8H2,(H,28,30,33)
InChIKeyVAOXHCWCYXXSJS-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.43
Rot. Bonds6

About N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide

N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (PubChem CID 138590018) has the molecular formula C23H25F3N6O and a molecular weight of 458.49 g/mol. Its IUPAC name is N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
PubChem CID138590018
Molecular FormulaC23H25F3N6O
Molecular Weight458.49 g/mol
Exact Mass458.20
IUPAC NameN-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnn(C4CC4)c3)ncc2cn1)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C23H25F3N6O/c24-23(25,26)5-8-31-6-3-15(4-7-31)22(33)30-21-10-16-9-20(27-11-17(16)12-28-21)18-13-29-32(14-18)19-1-2-19/h9-15,19H,1-8H2,(H,28,30,33)
InChIKeyVAOXHCWCYXXSJS-UHFFFAOYSA-N
XLogP4.43
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The IUPAC name of N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (CID 138590018) is N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The canonical SMILES for N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is O=C(Nc1cc2cc(-c3cnn(C4CC4)c3)ncc2cn1)C1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The InChIKey is VAOXHCWCYXXSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O/c24-23(25,26)5-8-31-6-3-15(4-7-31)22(33)30-21-10-16-9-20(27-11-17(16)12-28-21)18-13-29-32(14-18)19-1-2-19/h9-15,19H,1-8H2,(H,28,30,33).
What are the key properties of N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide has a molecular weight of 458.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-cyclopropylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is sourced from PubChem (CID 138590018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).