6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile

C22H24ClN5 — CID 59534644

IUPAC6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile
SMILESCN1CCC(NCc2cncc(-c3c(C#N)c4ccc(Cl)cc4n3C)c2)CC1
InChIInChI=1S/C22H24ClN5/c1-27-7-5-18(6-8-27)26-13-15-9-16(14-25-12-15)22-20(11-24)19-4-3-17(23)10-21(19)28(22)2/h3-4,9-10,12,14,18,26H,5-8,13H2,1-2H3
InChIKeyIRNVFWLJSRNETN-UHFFFAOYSA-N
MW393.92 g/mol
LogP3.95
Rot. Bonds4

About 6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile

6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile (PubChem CID 59534644) has the molecular formula C22H24ClN5 and a molecular weight of 393.92 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile
PubChem CID59534644
Molecular FormulaC22H24ClN5
Molecular Weight393.92 g/mol
Exact Mass393.17
IUPAC Name6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile
SMILESCN1CCC(NCc2cncc(-c3c(C#N)c4ccc(Cl)cc4n3C)c2)CC1
InChIInChI=1S/C22H24ClN5/c1-27-7-5-18(6-8-27)26-13-15-9-16(14-25-12-15)22-20(11-24)19-4-3-17(23)10-21(19)28(22)2/h3-4,9-10,12,14,18,26H,5-8,13H2,1-2H3
InChIKeyIRNVFWLJSRNETN-UHFFFAOYSA-N
XLogP3.95
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile with MolForge

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Related Compounds

2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile
CID 58215730
N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 58215629
N-[[5-(6-chloro-1-methylindol-2-yl)-3-pyridinyl]methyl]-1-methylpiperidin-4-amine
CID 141375005
6-chloro-1-methyl-2-[5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-3-pyridinyl]indole-3-carbonitrile
CID 58215564
N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
CID 59534638
2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile
CID 174820898
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
5-chloro-2-[[(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 118140383
N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
CID 65070501
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
4-[[(1-methylazepan-4-yl)amino]methyl]benzonitrile
CID 65070687
1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine
CID 123857557

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile?
The IUPAC name of 6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile (CID 59534644) is 6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile.
What is the SMILES notation for 6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile?
The canonical SMILES for 6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile is CN1CCC(NCc2cncc(-c3c(C#N)c4ccc(Cl)cc4n3C)c2)CC1.
What is the InChIKey of 6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile?
The InChIKey is IRNVFWLJSRNETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5/c1-27-7-5-18(6-8-27)26-13-15-9-16(14-25-12-15)22-20(11-24)19-4-3-17(23)10-21(19)28(22)2/h3-4,9-10,12,14,18,26H,5-8,13H2,1-2H3.
What are the key properties of 6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile?
6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile has a molecular weight of 393.92 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile is sourced from PubChem (CID 59534644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).