[2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

C24H30N4O — CID 176970640

IUPAC[2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(Cc2ccccc2)CC12CCN(Cc1c[nH]c3ncccc13)CC2
InChIInChI=1S/C24H30N4O/c29-17-21-16-28(14-19-5-2-1-3-6-19)18-24(21)8-11-27(12-9-24)15-20-13-26-23-22(20)7-4-10-25-23/h1-7,10,13,21,29H,8-9,11-12,14-18H2,(H,25,26)
InChIKeySTRDMYUANJBYQG-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.27
Rot. Bonds5

About [2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 176970640) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is [2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID176970640
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name[2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(Cc2ccccc2)CC12CCN(Cc1c[nH]c3ncccc13)CC2
InChIInChI=1S/C24H30N4O/c29-17-21-16-28(14-19-5-2-1-3-6-19)18-24(21)8-11-27(12-9-24)15-20-13-26-23-22(20)7-4-10-25-23/h1-7,10,13,21,29H,8-9,11-12,14-18H2,(H,25,26)
InChIKeySTRDMYUANJBYQG-UHFFFAOYSA-N
XLogP3.27
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
[2-[2-[3-[4-[[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-imidazol-3-ium-3-yl]phenyl]ethyl]-8-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 176970646
(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol
CID 22495756
[8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921973
3-(4-chlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 44591089
[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 91924984
2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 66413002
4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid
CID 66411236
[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 91910416
[1-benzyl-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 130151390
4-(methoxymethyl)-2,8-bis(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131678234
2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 66413194

Frequently Asked Questions

What is the IUPAC name of [2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 176970640) is [2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol is OCC1CN(Cc2ccccc2)CC12CCN(Cc1c[nH]c3ncccc13)CC2.
What is the InChIKey of [2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is STRDMYUANJBYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c29-17-21-16-28(14-19-5-2-1-3-6-19)18-24(21)8-11-27(12-9-24)15-20-13-26-23-22(20)7-4-10-25-23/h1-7,10,13,21,29H,8-9,11-12,14-18H2,(H,25,26).
What are the key properties of [2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 390.53 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 176970640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).