4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

C24H35FN4O5 — CID 68807621

IUPAC4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(F)cnc2NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C24H35FN4O5/c1-24(2,3)34-23(33)29-18-10-8-17(9-11-18)28-21(30)19-12-15(25)13-26-20(19)27-16-6-4-14(5-7-16)22(31)32/h12-14,16-18H,4-11H2,1-3H3,(H,26,27)(H,28,30)(H,29,33)(H,31,32)
InChIKeyCVIHAXQAIZPTIK-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.84
Rot. Bonds6

About 4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 68807621) has the molecular formula C24H35FN4O5 and a molecular weight of 478.57 g/mol. Its IUPAC name is 4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
PubChem CID68807621
Molecular FormulaC24H35FN4O5
Molecular Weight478.57 g/mol
Exact Mass478.26
IUPAC Name4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(F)cnc2NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C24H35FN4O5/c1-24(2,3)34-23(33)29-18-10-8-17(9-11-18)28-21(30)19-12-15(25)13-26-20(19)27-16-6-4-14(5-7-16)22(31)32/h12-14,16-18H,4-11H2,1-3H3,(H,26,27)(H,28,30)(H,29,33)(H,31,32)
InChIKeyCVIHAXQAIZPTIK-UHFFFAOYSA-N
XLogP3.84
TPSA129.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (CID 68807621) is 4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(F)cnc2NC2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is CVIHAXQAIZPTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O5/c1-24(2,3)34-23(33)29-18-10-8-17(9-11-18)28-21(30)19-12-15(25)13-26-20(19)27-16-6-4-14(5-7-16)22(31)32/h12-14,16-18H,4-11H2,1-3H3,(H,26,27)(H,28,30)(H,29,33)(H,31,32).
What are the key properties of 4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 478.57 g/mol, XLogP of 3.84, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 68807621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).