tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate

C25H31FN4O4 — CID 146172265

IUPACtert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2cnc(N3CCC(CO)CC3)nc2)cc2cc(OCCF)ccc21
InChIInChI=1S/C25H31FN4O4/c1-25(2,3)34-24(32)30-21-5-4-20(33-11-8-26)12-18(21)13-22(30)19-14-27-23(28-15-19)29-9-6-17(16-31)7-10-29/h4-5,12-15,17,31H,6-11,16H2,1-3H3
InChIKeyORVJCZLBHZRJNN-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.44
Rot. Bonds6

About tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate

tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate (PubChem CID 146172265) has the molecular formula C25H31FN4O4 and a molecular weight of 470.55 g/mol. Its IUPAC name is tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate
PubChem CID146172265
Molecular FormulaC25H31FN4O4
Molecular Weight470.55 g/mol
Exact Mass470.23
IUPAC Nametert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2cnc(N3CCC(CO)CC3)nc2)cc2cc(OCCF)ccc21
InChIInChI=1S/C25H31FN4O4/c1-25(2,3)34-24(32)30-21-5-4-20(33-11-8-26)12-18(21)13-22(30)19-14-27-23(28-15-19)29-9-6-17(16-31)7-10-29/h4-5,12-15,17,31H,6-11,16H2,1-3H3
InChIKeyORVJCZLBHZRJNN-UHFFFAOYSA-N
XLogP4.44
TPSA89.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-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

Related Compounds

5-hydroxy-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylic acid
CID 146172201
tert-butyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate
CID 155296742
[1-[5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-2-pyridinyl]piperidin-4-yl]methanol;2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]-1,3-benzothiazol-6-ol
CID 146172104
[1-[5-[5-(2-fluoroethoxy)-1H-indol-2-yl]-2-pyridinyl]piperidin-4-yl]methanol
CID 146172093
tert-butyl 3-[[4-(2-fluoroethoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 155373878
tert-butyl 5-methoxy-2-[5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indole-1-carboxylate
CID 24807321
tert-butyl 2-(3-fluorophenyl)indole-1-carboxylate
CID 154706702
tert-butyl 3-[5-fluoro-3-[4-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]azetidine-1-carboxylate
CID 58547336
tert-butyl 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine-1-carboxylate
CID 59234126
tert-butyl 2-[2-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylate;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid
CID 159142425
4-[2-[3-[5-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]phenyl]-2-pyridinyl]propoxy]ethoxy]phthalic acid
CID 165062820
tert-butyl 4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24959968

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate?
The IUPAC name of tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate (CID 146172265) is tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate is CC(C)(C)OC(=O)n1c(-c2cnc(N3CCC(CO)CC3)nc2)cc2cc(OCCF)ccc21.
What is the InChIKey of tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate?
The InChIKey is ORVJCZLBHZRJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O4/c1-25(2,3)34-24(32)30-21-5-4-20(33-11-8-26)12-18(21)13-22(30)19-14-27-23(28-15-19)29-9-6-17(16-31)7-10-29/h4-5,12-15,17,31H,6-11,16H2,1-3H3.
What are the key properties of tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate?
tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate has a molecular weight of 470.55 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(2-fluoroethoxy)-2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]indole-1-carboxylate is sourced from PubChem (CID 146172265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).