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

C21H23F3N6O — CID 138587815

IUPACN-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESCn1nccc1-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2n1
InChIInChI=1S/C21H23F3N6O/c1-29-18(4-8-26-29)16-3-2-15-13-25-19(12-17(15)27-16)28-20(31)14-5-9-30(10-6-14)11-7-21(22,23)24/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,25,28,31)
InChIKeyDFEMNNGTPHDYBF-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.63
Rot. Bonds5

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

N-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (PubChem CID 138587815) has the molecular formula C21H23F3N6O and a molecular weight of 432.45 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
PubChem CID138587815
Molecular FormulaC21H23F3N6O
Molecular Weight432.45 g/mol
Exact Mass432.19
IUPAC NameN-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
SMILESCn1nccc1-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2n1
InChIInChI=1S/C21H23F3N6O/c1-29-18(4-8-26-29)16-3-2-15-13-25-19(12-17(15)27-16)28-20(31)14-5-9-30(10-6-14)11-7-21(22,23)24/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,25,28,31)
InChIKeyDFEMNNGTPHDYBF-UHFFFAOYSA-N
XLogP3.63
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
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-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide (CID 138587815) is N-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is Cn1nccc1-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2n1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
The InChIKey is DFEMNNGTPHDYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O/c1-29-18(4-8-26-29)16-3-2-15-13-25-19(12-17(15)27-16)28-20(31)14-5-9-30(10-6-14)11-7-21(22,23)24/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,25,28,31).
What are the key properties of N-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide?
N-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide is sourced from PubChem (CID 138587815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).