2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile

C19H18N4O2 — CID 135564570

IUPAC2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1
InChIInChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2
InChIKeyBLTVBQXJFVRPFK-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.64
Rot. Bonds3

About 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile

2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile (PubChem CID 135564570) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile
PubChem CID135564570
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1
InChIInChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2
InChIKeyBLTVBQXJFVRPFK-UHFFFAOYSA-N
XLogP2.64
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile?
The IUPAC name of 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile (CID 135564570) is 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1.
What is the InChIKey of 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile?
The InChIKey is BLTVBQXJFVRPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2.
What are the key properties of 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile?
2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 135564570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).