2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol

C23H31N5O — CID 68734976

IUPAC2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol
SMILESCC1CCc2ncnc(N3CC4(CCNCC4)c4c(N(C)CCO)cccc43)c21
InChIInChI=1S/C23H31N5O/c1-16-6-7-17-20(16)22(26-15-25-17)28-14-23(8-10-24-11-9-23)21-18(27(2)12-13-29)4-3-5-19(21)28/h3-5,15-16,24,29H,6-14H2,1-2H3
InChIKeyIZCIQBOFAKBKEB-UHFFFAOYSA-N
MW393.54 g/mol
LogP2.73
Rot. Bonds4

About 2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol

2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol (PubChem CID 68734976) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol
PubChem CID68734976
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol
SMILESCC1CCc2ncnc(N3CC4(CCNCC4)c4c(N(C)CCO)cccc43)c21
InChIInChI=1S/C23H31N5O/c1-16-6-7-17-20(16)22(26-15-25-17)28-14-23(8-10-24-11-9-23)21-18(27(2)12-13-29)4-3-5-19(21)28/h3-5,15-16,24,29H,6-14H2,1-2H3
InChIKeyIZCIQBOFAKBKEB-UHFFFAOYSA-N
XLogP2.73
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol (CID 68734976) is 2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol is CC1CCc2ncnc(N3CC4(CCNCC4)c4c(N(C)CCO)cccc43)c21.
What is the InChIKey of 2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol?
The InChIKey is IZCIQBOFAKBKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-16-6-7-17-20(16)22(26-15-25-17)28-14-23(8-10-24-11-9-23)21-18(27(2)12-13-29)4-3-5-19(21)28/h3-5,15-16,24,29H,6-14H2,1-2H3.
What are the key properties of 2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol?
2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol has a molecular weight of 393.54 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[2H-indole-3,4'-piperidine]-4-yl]amino]ethanol is sourced from PubChem (CID 68734976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).