2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile

C20H20ClN5 — CID 174820898

IUPAC2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile
SMILESCn1c(-c2cncc(C(N)[C@@H]3CCNC3)c2)c(C#N)c2ccc(Cl)cc21
InChIInChI=1S/C20H20ClN5/c1-26-18-7-15(21)2-3-16(18)17(8-22)20(26)14-6-13(10-25-11-14)19(23)12-4-5-24-9-12/h2-3,6-7,10-12,19,24H,4-5,9,23H2,1H3/t12-,19?/m1/s1
InChIKeyDGBWYDXDEXMRBU-ISGGMURCSA-N
MW365.87 g/mol
LogP3.37
Rot. Bonds3

About 2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile

2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile (PubChem CID 174820898) has the molecular formula C20H20ClN5 and a molecular weight of 365.87 g/mol. Its IUPAC name is 2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile.

Molecular Properties

Compound Name2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile
PubChem CID174820898
Molecular FormulaC20H20ClN5
Molecular Weight365.87 g/mol
Exact Mass365.14
IUPAC Name2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile
SMILESCn1c(-c2cncc(C(N)[C@@H]3CCNC3)c2)c(C#N)c2ccc(Cl)cc21
InChIInChI=1S/C20H20ClN5/c1-26-18-7-15(21)2-3-16(18)17(8-22)20(26)14-6-13(10-25-11-14)19(23)12-4-5-24-9-12/h2-3,6-7,10-12,19,24H,4-5,9,23H2,1H3/t12-,19?/m1/s1
InChIKeyDGBWYDXDEXMRBU-ISGGMURCSA-N
XLogP3.37
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-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
6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile
CID 59534644
6-chloro-1-methyl-2-[5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-3-pyridinyl]indole-3-carbonitrile
CID 58215564
4-[5-[amino(cyclopropyl)methyl]-3-pyridinyl]benzonitrile
CID 163534777
N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 58215629
(6-chloro-1,3-benzoxazol-2-yl)-[(3R)-pyrrolidin-3-yl]methanamine
CID 67075692
N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
CID 59534638
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935488
(R)-(5-bromo-3-pyridinyl)-piperidin-4-ylmethanamine
CID 171314087
3-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-5-fluoropyridine
CID 66752232
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096
(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935490

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile?
The IUPAC name of 2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile (CID 174820898) is 2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile.
What is the SMILES notation for 2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile?
The canonical SMILES for 2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile is Cn1c(-c2cncc(C(N)[C@@H]3CCNC3)c2)c(C#N)c2ccc(Cl)cc21.
What is the InChIKey of 2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile?
The InChIKey is DGBWYDXDEXMRBU-ISGGMURCSA-N. The full InChI is InChI=1S/C20H20ClN5/c1-26-18-7-15(21)2-3-16(18)17(8-22)20(26)14-6-13(10-25-11-14)19(23)12-4-5-24-9-12/h2-3,6-7,10-12,19,24H,4-5,9,23H2,1H3/t12-,19?/m1/s1.
What are the key properties of 2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile?
2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile has a molecular weight of 365.87 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile is sourced from PubChem (CID 174820898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).