2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol

C20H24ClN7O — CID 146554058

IUPAC2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol
SMILESCC1(N)CCN(c2cnc3nc(-c4ccnc(NCCO)c4Cl)ccc3n2)CC1
InChIInChI=1S/C20H24ClN7O/c1-20(22)5-9-28(10-6-20)16-12-25-18-15(26-16)3-2-14(27-18)13-4-7-23-19(17(13)21)24-8-11-29/h2-4,7,12,29H,5-6,8-11,22H2,1H3,(H,23,24)
InChIKeyHKJMXLGZESKDKQ-UHFFFAOYSA-N
MW413.91 g/mol
LogP2.46
Rot. Bonds5

About 2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol

2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol (PubChem CID 146554058) has the molecular formula C20H24ClN7O and a molecular weight of 413.91 g/mol. Its IUPAC name is 2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol
PubChem CID146554058
Molecular FormulaC20H24ClN7O
Molecular Weight413.91 g/mol
Exact Mass413.17
IUPAC Name2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol
SMILESCC1(N)CCN(c2cnc3nc(-c4ccnc(NCCO)c4Cl)ccc3n2)CC1
InChIInChI=1S/C20H24ClN7O/c1-20(22)5-9-28(10-6-20)16-12-25-18-15(26-16)3-2-14(27-18)13-4-7-23-19(17(13)21)24-8-11-29/h2-4,7,12,29H,5-6,8-11,22H2,1H3,(H,23,24)
InChIKeyHKJMXLGZESKDKQ-UHFFFAOYSA-N
XLogP2.46
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol with MolForge

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Related Compounds

(4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine
CID 146485538
(4S)-1'-[6-(2,3-dichlorophenyl)pyrido[2,3-b]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
CID 171471230
[3-chloro-4-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol
CID 146553917
2-[[4-[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]amino]ethanol
CID 163833910
1-[3-(5-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 134379003
1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine
CID 167304888
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine
CID 154640341
3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine
CID 146554051
(4R)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 146554065
[3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
CID 139309246
1-[4-[2-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloro-2-pyridinyl]piperidin-4-ol
CID 146553932
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine-4-carbonitrile
CID 154640320

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol (CID 146554058) is 2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol is CC1(N)CCN(c2cnc3nc(-c4ccnc(NCCO)c4Cl)ccc3n2)CC1.
What is the InChIKey of 2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol?
The InChIKey is HKJMXLGZESKDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN7O/c1-20(22)5-9-28(10-6-20)16-12-25-18-15(26-16)3-2-14(27-18)13-4-7-23-19(17(13)21)24-8-11-29/h2-4,7,12,29H,5-6,8-11,22H2,1H3,(H,23,24).
What are the key properties of 2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol?
2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol has a molecular weight of 413.91 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-chloro-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 146554058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).