methyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate

C20H27ClN4O4 — CID 122458951

IUPACmethyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2c(ncn2CCC2CCN(C(=O)OC(C)(C)C)CC2)c1Cl
InChIInChI=1S/C20H27ClN4O4/c1-20(2,3)29-19(27)24-8-5-13(6-9-24)7-10-25-12-23-16-15(21)14(18(26)28-4)11-22-17(16)25/h11-13H,5-10H2,1-4H3
InChIKeyHAYGTYYWHCXNLM-UHFFFAOYSA-N
MW422.91 g/mol
LogP3.91
Rot. Bonds4

About methyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate

methyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 122458951) has the molecular formula C20H27ClN4O4 and a molecular weight of 422.91 g/mol. Its IUPAC name is methyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate
PubChem CID122458951
Molecular FormulaC20H27ClN4O4
Molecular Weight422.91 g/mol
Exact Mass422.17
IUPAC Namemethyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2c(ncn2CCC2CCN(C(=O)OC(C)(C)C)CC2)c1Cl
InChIInChI=1S/C20H27ClN4O4/c1-20(2,3)29-19(27)24-8-5-13(6-9-24)7-10-25-12-23-16-15(21)14(18(26)28-4)11-22-17(16)25/h11-13H,5-10H2,1-4H3
InChIKeyHAYGTYYWHCXNLM-UHFFFAOYSA-N
XLogP3.91
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(6-chloropurin-9-yl)methyl]piperidine-1-carboxylate
CID 22309587
tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate
CID 58285323
tert-butyl 4-[2-(3-bromo-5-methoxycarbonylpyrazol-1-yl)ethyl]piperidine-1-carboxylate
CID 169408101
tert-butyl 4-[2-(5-chloropyrimidin-2-yl)oxyethyl]piperidine-1-carboxylate
CID 71630074
methyl 2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxylate
CID 170950850
tert-butyl 4-[[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103761220
tert-butyl (3S)-3-[(5-chloropyrimidin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97171281
tert-butyl 4-[(5-chloropyrimidin-2-yl)sulfanylmethyl]piperidine-1-carboxylate
CID 71303122
methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]pyridine-3-carboxylate
CID 59613326
tert-butyl 4-[(4-bromo-2,3-dichloroanilino)methyl]piperidine-1-carboxylate
CID 114001569
tert-butyl 4-[[(5-amino-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 53255819
methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate
CID 164602310

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate (CID 122458951) is methyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate is COC(=O)c1cnc2c(ncn2CCC2CCN(C(=O)OC(C)(C)C)CC2)c1Cl.
What is the InChIKey of methyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is HAYGTYYWHCXNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O4/c1-20(2,3)29-19(27)24-8-5-13(6-9-24)7-10-25-12-23-16-15(21)14(18(26)28-4)11-22-17(16)25/h11-13H,5-10H2,1-4H3.
What are the key properties of methyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate?
methyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 422.91 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 122458951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).