[4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate

C38H51N5O6 — CID 149375480

IUPAC[4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CCC(O)C4)CC3)c3cc(C4=COC(C)(C5CC5)N4)ccn3)CC2)nc1C
InChIInChI=1S/C38H51N5O6/c1-24-34(47-3)15-14-32(40-24)26-6-4-25(5-7-26)21-43(35-20-28(16-18-39-35)33-23-48-38(2,41-33)29-10-11-29)36(45)27-8-12-31(13-9-27)49-37(46)42-19-17-30(44)22-42/h14-16,18,20,23,25-27,29-31,41,44H,4-13,17,19,21-22H2,1-3H3
InChIKeyYKQMAYLGAFSJOF-UHFFFAOYSA-N
MW673.86 g/mol
LogP5.91
Rot. Bonds9

About [4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate

[4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate (PubChem CID 149375480) has the molecular formula C38H51N5O6 and a molecular weight of 673.86 g/mol. Its IUPAC name is [4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate
PubChem CID149375480
Molecular FormulaC38H51N5O6
Molecular Weight673.86 g/mol
Exact Mass673.38
IUPAC Name[4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate
SMILESCOc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CCC(O)C4)CC3)c3cc(C4=COC(C)(C5CC5)N4)ccn3)CC2)nc1C
InChIInChI=1S/C38H51N5O6/c1-24-34(47-3)15-14-32(40-24)26-6-4-25(5-7-26)21-43(35-20-28(16-18-39-35)33-23-48-38(2,41-33)29-10-11-29)36(45)27-8-12-31(13-9-27)49-37(46)42-19-17-30(44)22-42/h14-16,18,20,23,25-27,29-31,41,44H,4-13,17,19,21-22H2,1-3H3
InChIKeyYKQMAYLGAFSJOF-UHFFFAOYSA-N
XLogP5.91
TPSA126.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of [4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate (CID 149375480) is [4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for [4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for [4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate is COc1ccc(C2CCC(CN(C(=O)C3CCC(OC(=O)N4CCC(O)C4)CC3)c3cc(C4=COC(C)(C5CC5)N4)ccn3)CC2)nc1C.
What is the InChIKey of [4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate?
The InChIKey is YKQMAYLGAFSJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51N5O6/c1-24-34(47-3)15-14-32(40-24)26-6-4-25(5-7-26)21-43(35-20-28(16-18-39-35)33-23-48-38(2,41-33)29-10-11-29)36(45)27-8-12-31(13-9-27)49-37(46)42-19-17-30(44)22-42/h14-16,18,20,23,25-27,29-31,41,44H,4-13,17,19,21-22H2,1-3H3.
What are the key properties of [4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate?
[4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate has a molecular weight of 673.86 g/mol, XLogP of 5.91, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2-cyclopropyl-2-methyl-3H-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(5-methoxy-6-methyl-2-pyridinyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 3-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 149375480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).