N-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol

C21H22FN5S — CID 144821489

IUPACN-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol
SMILESCNCc1c[nH]c2cc(Nc3ccc(C)nc3F)ccc12.Sc1cccnc1
InChIInChI=1S/C16H17FN4.C5H5NS/c1-10-3-6-14(16(17)20-10)21-12-4-5-13-11(8-18-2)9-19-15(13)7-12;7-5-2-1-3-6-4-5/h3-7,9,18-19,21H,8H2,1-2H3;1-4,7H
InChIKeyNFIDEZMNMODSNW-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.84
Rot. Bonds4

About N-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol

N-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol (PubChem CID 144821489) has the molecular formula C21H22FN5S and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol.

Molecular Properties

Compound NameN-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol
PubChem CID144821489
Molecular FormulaC21H22FN5S
Molecular Weight395.51 g/mol
Exact Mass395.16
IUPAC NameN-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol
SMILESCNCc1c[nH]c2cc(Nc3ccc(C)nc3F)ccc12.Sc1cccnc1
InChIInChI=1S/C16H17FN4.C5H5NS/c1-10-3-6-14(16(17)20-10)21-12-4-5-13-11(8-18-2)9-19-15(13)7-12;7-5-2-1-3-6-4-5/h3-7,9,18-19,21H,8H2,1-2H3;1-4,7H
InChIKeyNFIDEZMNMODSNW-UHFFFAOYSA-N
XLogP4.84
TPSA65.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(methylaminomethyl)-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1H-indol-6-amine;pyridine-3-thiol
CID 144821362
N-(6-methoxy-2-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol
CID 144821388
N-(4-bromo-2-ethylphenyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol
CID 144821354
1-[6-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]-N-methylmethanamine;pyridine-3-thiol
CID 144821384
3-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)-1H-indol-6-amine
CID 134357602
N-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(methylaminomethyl)-1H-indol-6-amine
CID 134357306
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine
CID 134357248
N-(4-chloro-2-fluorophenyl)-3-(methylaminomethyl)-1-pyridin-3-ylsulfanylindol-6-amine
CID 134357532
[3-(methylaminomethyl)-1H-indol-6-yl]methanamine
CID 117178238
N-(2-chloro-4-fluorophenyl)-3-(methylaminomethyl)-1-pyridin-3-ylsulfanylindol-6-amine
CID 134357564
N-(2-bromo-6-fluoro-3-pyridinyl)-3-(methylaminomethyl)-1-pyridin-3-ylsulfinylindol-6-amine
CID 134357258

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol?
The IUPAC name of N-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol (CID 144821489) is N-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol.
What is the SMILES notation for N-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol?
The canonical SMILES for N-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol is CNCc1c[nH]c2cc(Nc3ccc(C)nc3F)ccc12.Sc1cccnc1.
What is the InChIKey of N-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol?
The InChIKey is NFIDEZMNMODSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4.C5H5NS/c1-10-3-6-14(16(17)20-10)21-12-4-5-13-11(8-18-2)9-19-15(13)7-12;7-5-2-1-3-6-4-5/h3-7,9,18-19,21H,8H2,1-2H3;1-4,7H.
What are the key properties of N-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol?
N-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol has a molecular weight of 395.51 g/mol, XLogP of 4.84, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-methyl-3-pyridinyl)-3-(methylaminomethyl)-1H-indol-6-amine;pyridine-3-thiol is sourced from PubChem (CID 144821489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).