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

C21H24F2N6O — CID 138590177

IUPAC1-(2,2-difluoropropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
SMILESCn1cc(-c2cc3cc(NC(=O)C4CCN(CC(C)(F)F)CC4)ncc3cn2)cn1
InChIInChI=1S/C21H24F2N6O/c1-21(22,23)13-29-5-3-14(4-6-29)20(30)27-19-8-15-7-18(17-11-26-28(2)12-17)24-9-16(15)10-25-19/h7-12,14H,3-6,13H2,1-2H3,(H,25,27,30)
InChIKeyQPMHJRBSPLMWNM-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.34
Rot. Bonds5

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

1-(2,2-difluoropropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide (PubChem CID 138590177) has the molecular formula C21H24F2N6O and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
PubChem CID138590177
Molecular FormulaC21H24F2N6O
Molecular Weight414.46 g/mol
Exact Mass414.20
IUPAC Name1-(2,2-difluoropropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide
SMILESCn1cc(-c2cc3cc(NC(=O)C4CCN(CC(C)(F)F)CC4)ncc3cn2)cn1
InChIInChI=1S/C21H24F2N6O/c1-21(22,23)13-29-5-3-14(4-6-29)20(30)27-19-8-15-7-18(17-11-26-28(2)12-17)24-9-16(15)10-25-19/h7-12,14H,3-6,13H2,1-2H3,(H,25,27,30)
InChIKeyQPMHJRBSPLMWNM-UHFFFAOYSA-N
XLogP3.34
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-difluoropropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide (CID 138590177) is 1-(2,2-difluoropropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoropropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoropropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide is Cn1cc(-c2cc3cc(NC(=O)C4CCN(CC(C)(F)F)CC4)ncc3cn2)cn1.
What is the InChIKey of 1-(2,2-difluoropropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?
The InChIKey is QPMHJRBSPLMWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N6O/c1-21(22,23)13-29-5-3-14(4-6-29)20(30)27-19-8-15-7-18(17-11-26-28(2)12-17)24-9-16(15)10-25-19/h7-12,14H,3-6,13H2,1-2H3,(H,25,27,30).
What are the key properties of 1-(2,2-difluoropropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide?
1-(2,2-difluoropropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138590177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).