3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile

C21H21N5O — CID 141195605

IUPAC3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(O)c(-c3ccc(C(N4CCC4)N4CCC4)cn3)c2c1
InChIInChI=1S/C21H21N5O/c22-12-14-3-5-17-16(11-14)19(20(27)24-17)18-6-4-15(13-23-18)21(25-7-1-8-25)26-9-2-10-26/h3-6,11,13,21,24,27H,1-2,7-10H2
InChIKeyAXOZNAWDSOAJLS-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.22
Rot. Bonds4

About 3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile

3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile (PubChem CID 141195605) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile
PubChem CID141195605
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(O)c(-c3ccc(C(N4CCC4)N4CCC4)cn3)c2c1
InChIInChI=1S/C21H21N5O/c22-12-14-3-5-17-16(11-14)19(20(27)24-17)18-6-4-15(13-23-18)21(25-7-1-8-25)26-9-2-10-26/h3-6,11,13,21,24,27H,1-2,7-10H2
InChIKeyAXOZNAWDSOAJLS-UHFFFAOYSA-N
XLogP3.22
TPSA79.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile?
The IUPAC name of 3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile (CID 141195605) is 3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]c(O)c(-c3ccc(C(N4CCC4)N4CCC4)cn3)c2c1.
What is the InChIKey of 3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile?
The InChIKey is AXOZNAWDSOAJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c22-12-14-3-5-17-16(11-14)19(20(27)24-17)18-6-4-15(13-23-18)21(25-7-1-8-25)26-9-2-10-26/h3-6,11,13,21,24,27H,1-2,7-10H2.
What are the key properties of 3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile?
3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile has a molecular weight of 359.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[bis(azetidin-1-yl)methyl]-2-pyridinyl]-2-hydroxy-1H-indole-5-carbonitrile is sourced from PubChem (CID 141195605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).