methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

C24H35N5O5 — CID 90712526

IUPACmethyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
SMILESCOC(=O)[C@H](CCC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H35N5O5/c1-16-26-19-14-25-11-8-20(19)29(16)15-17-9-12-28(13-10-17)21(30)7-6-18(22(31)33-5)27-23(32)34-24(2,3)4/h8,11,14,17-18H,6-7,9-10,12-13,15H2,1-5H3,(H,27,32)/t18-/m0/s1
InChIKeyCDLBIIOUQXCCHO-SFHVURJKSA-N
MW473.57 g/mol
LogP2.82
Rot. Bonds7

About methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate (PubChem CID 90712526) has the molecular formula C24H35N5O5 and a molecular weight of 473.57 g/mol. Its IUPAC name is methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
PubChem CID90712526
Molecular FormulaC24H35N5O5
Molecular Weight473.57 g/mol
Exact Mass473.26
IUPAC Namemethyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
SMILESCOC(=O)[C@H](CCC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H35N5O5/c1-16-26-19-14-25-11-8-20(19)29(16)15-17-9-12-28(13-10-17)21(30)7-6-18(22(31)33-5)27-23(32)34-24(2,3)4/h8,11,14,17-18H,6-7,9-10,12-13,15H2,1-5H3,(H,27,32)/t18-/m0/s1
InChIKeyCDLBIIOUQXCCHO-SFHVURJKSA-N
XLogP2.82
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The IUPAC name of methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate (CID 90712526) is methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate.
What is the SMILES notation for methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The canonical SMILES for methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate is COC(=O)[C@H](CCC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The InChIKey is CDLBIIOUQXCCHO-SFHVURJKSA-N. The full InChI is InChI=1S/C24H35N5O5/c1-16-26-19-14-25-11-8-20(19)29(16)15-17-9-12-28(13-10-17)21(30)7-6-18(22(31)33-5)27-23(32)34-24(2,3)4/h8,11,14,17-18H,6-7,9-10,12-13,15H2,1-5H3,(H,27,32)/t18-/m0/s1.
What are the key properties of methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate has a molecular weight of 473.57 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-5-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate is sourced from PubChem (CID 90712526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).