[3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol

C17H21BrClN5O — CID 139309246

IUPAC[3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC(C)(N)CC2)c(CO)nc1-c1ccnc(Br)c1Cl
InChIInChI=1S/C17H21BrClN5O/c1-10-14(11-3-6-21-15(18)13(11)19)23-12(9-25)16(22-10)24-7-4-17(2,20)5-8-24/h3,6,25H,4-5,7-9,20H2,1-2H3
InChIKeyCGTJVEPXNJEAAI-UHFFFAOYSA-N
MW426.75 g/mol
LogP3.07
Rot. Bonds3

About [3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol

[3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol (PubChem CID 139309246) has the molecular formula C17H21BrClN5O and a molecular weight of 426.75 g/mol. Its IUPAC name is [3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
PubChem CID139309246
Molecular FormulaC17H21BrClN5O
Molecular Weight426.75 g/mol
Exact Mass425.06
IUPAC Name[3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC(C)(N)CC2)c(CO)nc1-c1ccnc(Br)c1Cl
InChIInChI=1S/C17H21BrClN5O/c1-10-14(11-3-6-21-15(18)13(11)19)23-12(9-25)16(22-10)24-7-4-17(2,20)5-8-24/h3,6,25H,4-5,7-9,20H2,1-2H3
InChIKeyCGTJVEPXNJEAAI-UHFFFAOYSA-N
XLogP3.07
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.75
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol
CID 149232735
[6-(2,3-dichloro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
CID 159997828
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
CID 156687252
4-(aminomethyl)-1-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]piperidin-4-ol
CID 139309361
[3-(8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-methylphenyl)-5-methylpyrazin-2-yl]methanol
CID 134182825
4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-3-chloropyridine-2-carbonitrile
CID 155401141
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
CID 139309485
3-chloro-4-[6-(hydroxymethyl)-3-methyl-5-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]pyridine-2-carbonitrile
CID 155323393
[6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol
CID 152847395
4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dichlorophenol
CID 139309356
[3-[(1S)-1-amino-7-isocyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
CID 166048360
ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate
CID 163576504

Frequently Asked Questions

What is the IUPAC name of [3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol?
The IUPAC name of [3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol (CID 139309246) is [3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol.
What is the SMILES notation for [3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol?
The canonical SMILES for [3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol is Cc1nc(N2CCC(C)(N)CC2)c(CO)nc1-c1ccnc(Br)c1Cl.
What is the InChIKey of [3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol?
The InChIKey is CGTJVEPXNJEAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrClN5O/c1-10-14(11-3-6-21-15(18)13(11)19)23-12(9-25)16(22-10)24-7-4-17(2,20)5-8-24/h3,6,25H,4-5,7-9,20H2,1-2H3.
What are the key properties of [3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol?
[3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol has a molecular weight of 426.75 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 139309246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).