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

C23H25F3N6O — CID 138587663

IUPACN-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide
SMILESCn1cc(-c2cc3cc(NC(=O)C4CCN(CC5(C(F)(F)F)CC5)CC4)ncc3cn2)cn1
InChIInChI=1S/C23H25F3N6O/c1-31-13-18(12-29-31)19-8-16-9-20(28-11-17(16)10-27-19)30-21(33)15-2-6-32(7-3-15)14-22(4-5-22)23(24,25)26/h8-13,15H,2-7,14H2,1H3,(H,28,30,33)
InChIKeyQDEFOEJCAKMCPY-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.02
Rot. Bonds5

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

N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide (PubChem CID 138587663) has the molecular formula C23H25F3N6O and a molecular weight of 458.49 g/mol. Its IUPAC name is N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide
PubChem CID138587663
Molecular FormulaC23H25F3N6O
Molecular Weight458.49 g/mol
Exact Mass458.20
IUPAC NameN-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide
SMILESCn1cc(-c2cc3cc(NC(=O)C4CCN(CC5(C(F)(F)F)CC5)CC4)ncc3cn2)cn1
InChIInChI=1S/C23H25F3N6O/c1-31-13-18(12-29-31)19-8-16-9-20(28-11-17(16)10-27-19)30-21(33)15-2-6-32(7-3-15)14-22(4-5-22)23(24,25)26/h8-13,15H,2-7,14H2,1H3,(H,28,30,33)
InChIKeyQDEFOEJCAKMCPY-UHFFFAOYSA-N
XLogP4.02
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide (CID 138587663) is N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide is Cn1cc(-c2cc3cc(NC(=O)C4CCN(CC5(C(F)(F)F)CC5)CC4)ncc3cn2)cn1.
What is the InChIKey of N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide?
The InChIKey is QDEFOEJCAKMCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O/c1-31-13-18(12-29-31)19-8-16-9-20(28-11-17(16)10-27-19)30-21(33)15-2-6-32(7-3-15)14-22(4-5-22)23(24,25)26/h8-13,15H,2-7,14H2,1H3,(H,28,30,33).
What are the key properties of N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide?
N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide has a molecular weight of 458.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 138587663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).