[4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate

C26H36N4O6 — CID 68567432

IUPAC[4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
SMILESCOc1c(OC2CCN(OC(=O)OC(C)C)CC2)ccnc1Nc1ccc(CCOC2CC2)nc1C
InChIInChI=1S/C26H36N4O6/c1-17(2)34-26(31)36-30-14-10-21(11-15-30)35-23-9-13-27-25(24(23)32-4)29-22-8-5-19(28-18(22)3)12-16-33-20-6-7-20/h5,8-9,13,17,20-21H,6-7,10-12,14-16H2,1-4H3,(H,27,29)
InChIKeyKCURIVNIBABOJM-UHFFFAOYSA-N
MW500.60 g/mol
LogP4.58
Rot. Bonds11

About [4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate

[4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate (PubChem CID 68567432) has the molecular formula C26H36N4O6 and a molecular weight of 500.60 g/mol. Its IUPAC name is [4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
PubChem CID68567432
Molecular FormulaC26H36N4O6
Molecular Weight500.60 g/mol
Exact Mass500.26
IUPAC Name[4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
SMILESCOc1c(OC2CCN(OC(=O)OC(C)C)CC2)ccnc1Nc1ccc(CCOC2CC2)nc1C
InChIInChI=1S/C26H36N4O6/c1-17(2)34-26(31)36-30-14-10-21(11-15-30)35-23-9-13-27-25(24(23)32-4)29-22-8-5-19(28-18(22)3)12-16-33-20-6-7-20/h5,8-9,13,17,20-21H,6-7,10-12,14-16H2,1-4H3,(H,27,29)
InChIKeyKCURIVNIBABOJM-UHFFFAOYSA-N
XLogP4.58
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate with MolForge

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Launch Full Analysis

Related Compounds

[4-[[2-[[6-(2-hydroxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567438
[4-[[3-methoxy-2-[[2-methyl-6-(2-methylsulfonylethylamino)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567463
[4-[[2-[2-fluoro-4-(2-hydroxyethyl)anilino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567838
4-[[3-methoxy-2-[[2-methyl-6-[3-(trioxidanyl)propyl]-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 143273552
propan-2-yl 4-[[2-[[6-(3-hydroxypropoxy)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 11496562
[4-[[2-[[4-fluoro-6-(2-propan-2-yloxyethyl)-3-pyridinyl]amino]-3-methyl-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68534432
propan-2-yl 4-[[2-[[6-(3-hydroxypropyl)-2-methoxy-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 91492715
propan-2-yl 4-[[3-methoxy-2-[[2-methoxy-6-(2-methylsulfonylethyl)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 11569941
propan-2-yl 4-[[2-[[2-fluoro-6-(2-methoxyethoxy)-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 59314598
[4-[[2-(2-fluoro-4-methylsulfonylanilino)-3-hydroxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68564988
[4-[6-[[6-(2-cyclopropyloxyethylamino)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68534224
[4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 69160848

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
The IUPAC name of [4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate (CID 68567432) is [4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate.
What is the SMILES notation for [4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
The canonical SMILES for [4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate is COc1c(OC2CCN(OC(=O)OC(C)C)CC2)ccnc1Nc1ccc(CCOC2CC2)nc1C.
What is the InChIKey of [4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
The InChIKey is KCURIVNIBABOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O6/c1-17(2)34-26(31)36-30-14-10-21(11-15-30)35-23-9-13-27-25(24(23)32-4)29-22-8-5-19(28-18(22)3)12-16-33-20-6-7-20/h5,8-9,13,17,20-21H,6-7,10-12,14-16H2,1-4H3,(H,27,29).
What are the key properties of [4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate?
[4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate has a molecular weight of 500.60 g/mol, XLogP of 4.58, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[[6-(2-cyclopropyloxyethyl)-2-methyl-3-pyridinyl]amino]-3-methoxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate is sourced from PubChem (CID 68567432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).