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

C21H23F3N6O — CID 138589703

IUPACN-[6-[1-(trideuteriomethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILES[2H]C([2H])([2H])n1cc(-c2cc3cc(NC(=O)C4CCN(CCC(F)(F)F)CC4)ncc3cn2)cn1
InChIInChI=1S/C21H23F3N6O/c1-29-13-17(12-27-29)18-8-15-9-19(26-11-16(15)10-25-18)28-20(31)14-2-5-30(6-3-14)7-4-21(22,23)24/h8-14H,2-7H2,1H3,(H,26,28,31)/i1D3
InChIKeyKVDRUGBHHPGUDN-FIBGUPNXSA-N
MW435.47 g/mol
LogP3.63
Rot. Bonds6

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

N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (PubChem CID 138589703) has the molecular formula C21H23F3N6O and a molecular weight of 435.47 g/mol. Its IUPAC name is N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[1-(trideuteriomethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
PubChem CID138589703
Molecular FormulaC21H23F3N6O
Molecular Weight435.47 g/mol
Exact Mass435.21
IUPAC NameN-[6-[1-(trideuteriomethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILES[2H]C([2H])([2H])n1cc(-c2cc3cc(NC(=O)C4CCN(CCC(F)(F)F)CC4)ncc3cn2)cn1
InChIInChI=1S/C21H23F3N6O/c1-29-13-17(12-27-29)18-8-15-9-19(26-11-16(15)10-25-18)28-20(31)14-2-5-30(6-3-14)7-4-21(22,23)24/h8-14H,2-7H2,1H3,(H,26,28,31)/i1D3
InChIKeyKVDRUGBHHPGUDN-FIBGUPNXSA-N
XLogP3.63
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The IUPAC name of N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (CID 138589703) is N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The canonical SMILES for N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is [2H]C([2H])([2H])n1cc(-c2cc3cc(NC(=O)C4CCN(CCC(F)(F)F)CC4)ncc3cn2)cn1.
What is the InChIKey of N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The InChIKey is KVDRUGBHHPGUDN-FIBGUPNXSA-N. The full InChI is InChI=1S/C21H23F3N6O/c1-29-13-17(12-27-29)18-8-15-9-19(26-11-16(15)10-25-18)28-20(31)14-2-5-30(6-3-14)7-4-21(22,23)24/h8-14H,2-7H2,1H3,(H,26,28,31)/i1D3.
What are the key properties of N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(trideuteriomethyl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is sourced from PubChem (CID 138589703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).