3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride

C19H18ClFN4O2 — CID 10475417

IUPAC3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc2c(c1)NC(=O)C2(F)c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C19H17FN4O2.ClH/c20-19(15-3-1-13(10-21)9-16(15)23-18(19)25)17-4-2-14(11-22-17)12-24-5-7-26-8-6-24;/h1-4,9,11H,5-8,12H2,(H,23,25);1H
InChIKeyDGYOQSAUPDVPQH-UHFFFAOYSA-N
MW388.83 g/mol
LogP2.37
Rot. Bonds3

About 3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride

3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride (PubChem CID 10475417) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is 3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride
PubChem CID10475417
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC Name3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccc2c(c1)NC(=O)C2(F)c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C19H17FN4O2.ClH/c20-19(15-3-1-13(10-21)9-16(15)23-18(19)25)17-4-2-14(11-22-17)12-24-5-7-26-8-6-24;/h1-4,9,11H,5-8,12H2,(H,23,25);1H
InChIKeyDGYOQSAUPDVPQH-UHFFFAOYSA-N
XLogP2.37
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride?
The IUPAC name of 3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride (CID 10475417) is 3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride.
What is the SMILES notation for 3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride?
The canonical SMILES for 3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride is Cl.N#Cc1ccc2c(c1)NC(=O)C2(F)c1ccc(CN2CCOCC2)cn1.
What is the InChIKey of 3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride?
The InChIKey is DGYOQSAUPDVPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2.ClH/c20-19(15-3-1-13(10-21)9-16(15)23-18(19)25)17-4-2-14(11-22-17)12-24-5-7-26-8-6-24;/h1-4,9,11H,5-8,12H2,(H,23,25);1H.
What are the key properties of 3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride?
3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride has a molecular weight of 388.83 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-2-oxo-1H-indole-6-carbonitrile;hydrochloride is sourced from PubChem (CID 10475417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).