2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate

C26H32FN5O4 — CID 68862867

IUPAC2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate
SMILESCOCn1ncc2ccc(NC(=O)N(c3cccc(F)c3)C3CCN(C(=O)OCC(C)C)CC3)cc21
InChIInChI=1S/C26H32FN5O4/c1-18(2)16-36-26(34)30-11-9-22(10-12-30)32(23-6-4-5-20(27)13-23)25(33)29-21-8-7-19-15-28-31(17-35-3)24(19)14-21/h4-8,13-15,18,22H,9-12,16-17H2,1-3H3,(H,29,33)
InChIKeyRNFLJCAJVWEUNR-UHFFFAOYSA-N
MW497.57 g/mol
LogP5.07
Rot. Bonds7

About 2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate

2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate (PubChem CID 68862867) has the molecular formula C26H32FN5O4 and a molecular weight of 497.57 g/mol. Its IUPAC name is 2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate
PubChem CID68862867
Molecular FormulaC26H32FN5O4
Molecular Weight497.57 g/mol
Exact Mass497.24
IUPAC Name2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate
SMILESCOCn1ncc2ccc(NC(=O)N(c3cccc(F)c3)C3CCN(C(=O)OCC(C)C)CC3)cc21
InChIInChI=1S/C26H32FN5O4/c1-18(2)16-36-26(34)30-11-9-22(10-12-30)32(23-6-4-5-20(27)13-23)25(33)29-21-8-7-19-15-28-31(17-35-3)24(19)14-21/h4-8,13-15,18,22H,9-12,16-17H2,1-3H3,(H,29,33)
InChIKeyRNFLJCAJVWEUNR-UHFFFAOYSA-N
XLogP5.07
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.57
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate (CID 68862867) is 2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate is COCn1ncc2ccc(NC(=O)N(c3cccc(F)c3)C3CCN(C(=O)OCC(C)C)CC3)cc21.
What is the InChIKey of 2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate?
The InChIKey is RNFLJCAJVWEUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O4/c1-18(2)16-36-26(34)30-11-9-22(10-12-30)32(23-6-4-5-20(27)13-23)25(33)29-21-8-7-19-15-28-31(17-35-3)24(19)14-21/h4-8,13-15,18,22H,9-12,16-17H2,1-3H3,(H,29,33).
What are the key properties of 2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate?
2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate has a molecular weight of 497.57 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[3-fluoro-N-[[1-(methoxymethyl)indazol-6-yl]carbamoyl]anilino]piperidine-1-carboxylate is sourced from PubChem (CID 68862867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).