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

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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).