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

C18H22BrClN4O — CID 149232735

IUPAC[6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC(C)(C)CC2)c(CO)nc1-c1ccnc(Cl)c1Br
InChIInChI=1S/C18H22BrClN4O/c1-11-15(12-4-7-21-16(20)14(12)19)23-13(10-25)17(22-11)24-8-5-18(2,3)6-9-24/h4,7,25H,5-6,8-10H2,1-3H3
InChIKeyXKPRDSOUJCZGRY-UHFFFAOYSA-N
MW425.76 g/mol
LogP4.38
Rot. Bonds3

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

[6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol (PubChem CID 149232735) has the molecular formula C18H22BrClN4O and a molecular weight of 425.76 g/mol. Its IUPAC name is [6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol
PubChem CID149232735
Molecular FormulaC18H22BrClN4O
Molecular Weight425.76 g/mol
Exact Mass424.07
IUPAC Name[6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC(C)(C)CC2)c(CO)nc1-c1ccnc(Cl)c1Br
InChIInChI=1S/C18H22BrClN4O/c1-11-15(12-4-7-21-16(20)14(12)19)23-13(10-25)17(22-11)24-8-5-18(2,3)6-9-24/h4,7,25H,5-6,8-10H2,1-3H3
InChIKeyXKPRDSOUJCZGRY-UHFFFAOYSA-N
XLogP4.38
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.76
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
CID 139309246
[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
[3-(8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-methylphenyl)-5-methylpyrazin-2-yl]methanol
CID 134182825
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
CID 139309485
4-(aminomethyl)-1-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]piperidin-4-ol
CID 139309361
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
ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate
CID 163576504
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
[6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol
CID 152847395
[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol
CID 138735042
1-[1-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-(hydroxymethyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]ethyl carbamate
CID 175367946

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol?
The IUPAC name of [6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol (CID 149232735) is [6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol.
What is the SMILES notation for [6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol?
The canonical SMILES for [6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol is Cc1nc(N2CCC(C)(C)CC2)c(CO)nc1-c1ccnc(Cl)c1Br.
What is the InChIKey of [6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol?
The InChIKey is XKPRDSOUJCZGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrClN4O/c1-11-15(12-4-7-21-16(20)14(12)19)23-13(10-25)17(22-11)24-8-5-18(2,3)6-9-24/h4,7,25H,5-6,8-10H2,1-3H3.
What are the key properties of [6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol?
[6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol has a molecular weight of 425.76 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 149232735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).