3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid

C28H36N4O5 — CID 91467963

IUPAC3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(OC2(c3cnccc3C(=O)O)Cc3c(cccc3N3CCCC3)N2)CC1
InChIInChI=1S/C28H36N4O5/c1-27(2,3)37-26(35)32-15-10-19(11-16-32)36-28(22-18-29-12-9-20(22)25(33)34)17-21-23(30-28)7-6-8-24(21)31-13-4-5-14-31/h6-9,12,18-19,30H,4-5,10-11,13-17H2,1-3H3,(H,33,34)
InChIKeyCGFDOQUNUXDEBS-UHFFFAOYSA-N
MW508.62 g/mol
LogP4.62
Rot. Bonds5

About 3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid

3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid (PubChem CID 91467963) has the molecular formula C28H36N4O5 and a molecular weight of 508.62 g/mol. Its IUPAC name is 3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid
PubChem CID91467963
Molecular FormulaC28H36N4O5
Molecular Weight508.62 g/mol
Exact Mass508.27
IUPAC Name3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(OC2(c3cnccc3C(=O)O)Cc3c(cccc3N3CCCC3)N2)CC1
InChIInChI=1S/C28H36N4O5/c1-27(2,3)37-26(35)32-15-10-19(11-16-32)36-28(22-18-29-12-9-20(22)25(33)34)17-21-23(30-28)7-6-8-24(21)31-13-4-5-14-31/h6-9,12,18-19,30H,4-5,10-11,13-17H2,1-3H3,(H,33,34)
InChIKeyCGFDOQUNUXDEBS-UHFFFAOYSA-N
XLogP4.62
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

tert-butyl 4-[1-(1,2,3,4-tetrahydroquinolin-5-yl)piperidin-4-yl]oxypiperidine-1-carboxylate;piperidine-2,6-dione
CID 170614792
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
tert-butyl 4-[[(1S)-1-pyridin-3-ylethyl]amino]azepane-1-carboxylate
CID 103982627
tert-butyl 4-[(4-methyl-3-pyridinyl)amino]azepane-1-carboxylate
CID 103982125
3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylic acid
CID 118961824
3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid
CID 130406230
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 70570904
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230097
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid (CID 91467963) is 3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(OC2(c3cnccc3C(=O)O)Cc3c(cccc3N3CCCC3)N2)CC1.
What is the InChIKey of 3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid?
The InChIKey is CGFDOQUNUXDEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O5/c1-27(2,3)37-26(35)32-15-10-19(11-16-32)36-28(22-18-29-12-9-20(22)25(33)34)17-21-23(30-28)7-6-8-24(21)31-13-4-5-14-31/h6-9,12,18-19,30H,4-5,10-11,13-17H2,1-3H3,(H,33,34).
What are the key properties of 3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid?
3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid has a molecular weight of 508.62 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-4-pyrrolidin-1-yl-1,3-dihydroindol-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 91467963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).