4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid

C26H26F2N6O6 — CID 44535234

IUPAC4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid
SMILESCOc1ccc2nccc(NC(=O)N3CCC(NCc4cc5c(F)ccc(F)c5[nH]4)CC3)c2n1.O=C(O)C(=O)O
InChIInChI=1S/C24H24F2N6O2.C2H2O4/c1-34-21-5-4-19-23(31-21)20(6-9-27-19)30-24(33)32-10-7-14(8-11-32)28-13-15-12-16-17(25)2-3-18(26)22(16)29-15;3-1(4)2(5)6/h2-6,9,12,14,28-29H,7-8,10-11,13H2,1H3,(H,27,30,33);(H,3,4)(H,5,6)
InChIKeyRMJBMPUPWPASTB-UHFFFAOYSA-N
MW556.53 g/mol
LogP3.34
Rot. Bonds5

About 4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid

4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid (PubChem CID 44535234) has the molecular formula C26H26F2N6O6 and a molecular weight of 556.53 g/mol. Its IUPAC name is 4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid.

Molecular Properties

Compound Name4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid
PubChem CID44535234
Molecular FormulaC26H26F2N6O6
Molecular Weight556.53 g/mol
Exact Mass556.19
IUPAC Name4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid
SMILESCOc1ccc2nccc(NC(=O)N3CCC(NCc4cc5c(F)ccc(F)c5[nH]4)CC3)c2n1.O=C(O)C(=O)O
InChIInChI=1S/C24H24F2N6O2.C2H2O4/c1-34-21-5-4-19-23(31-21)20(6-9-27-19)30-24(33)32-10-7-14(8-11-32)28-13-15-12-16-17(25)2-3-18(26)22(16)29-15;3-1(4)2(5)6/h2-6,9,12,14,28-29H,7-8,10-11,13H2,1H3,(H,27,30,33);(H,3,4)(H,5,6)
InChIKeyRMJBMPUPWPASTB-UHFFFAOYSA-N
XLogP3.34
TPSA169.77 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.53
LogP ≤ 53.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid?
The IUPAC name of 4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid (CID 44535234) is 4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid.
What is the SMILES notation for 4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid?
The canonical SMILES for 4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid is COc1ccc2nccc(NC(=O)N3CCC(NCc4cc5c(F)ccc(F)c5[nH]4)CC3)c2n1.O=C(O)C(=O)O.
What is the InChIKey of 4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid?
The InChIKey is RMJBMPUPWPASTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O2.C2H2O4/c1-34-21-5-4-19-23(31-21)20(6-9-27-19)30-24(33)32-10-7-14(8-11-32)28-13-15-12-16-17(25)2-3-18(26)22(16)29-15;3-1(4)2(5)6/h2-6,9,12,14,28-29H,7-8,10-11,13H2,1H3,(H,27,30,33);(H,3,4)(H,5,6).
What are the key properties of 4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid?
4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid has a molecular weight of 556.53 g/mol, XLogP of 3.34, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,7-difluoro-1H-indol-2-yl)methylamino]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-1-carboxamide;oxalic acid is sourced from PubChem (CID 44535234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).