2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol

C18H20Cl2N6O — CID 167304886

IUPAC2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol
SMILESOCCNC1CCN(c2cnc3c(cnn3-c3cccc(Cl)c3Cl)n2)CC1
InChIInChI=1S/C18H20Cl2N6O/c19-13-2-1-3-15(17(13)20)26-18-14(10-23-26)24-16(11-22-18)25-7-4-12(5-8-25)21-6-9-27/h1-3,10-12,21,27H,4-9H2
InChIKeyPBHBOPXWPFDRCL-UHFFFAOYSA-N
MW407.31 g/mol
LogP2.67
Rot. Bonds5

About 2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol

2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol (PubChem CID 167304886) has the molecular formula C18H20Cl2N6O and a molecular weight of 407.31 g/mol. Its IUPAC name is 2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol
PubChem CID167304886
Molecular FormulaC18H20Cl2N6O
Molecular Weight407.31 g/mol
Exact Mass406.11
IUPAC Name2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol
SMILESOCCNC1CCN(c2cnc3c(cnn3-c3cccc(Cl)c3Cl)n2)CC1
InChIInChI=1S/C18H20Cl2N6O/c19-13-2-1-3-15(17(13)20)26-18-14(10-23-26)24-16(11-22-18)25-7-4-12(5-8-25)21-6-9-27/h1-3,10-12,21,27H,4-9H2
InChIKeyPBHBOPXWPFDRCL-UHFFFAOYSA-N
XLogP2.67
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol with MolForge

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Related Compounds

(3R)-4-[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]morpholin-3-amine
CID 167304764
1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-4-methylpiperidin-4-amine
CID 167304888
(3S,4S)-8-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 171726042
2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol
CID 146081262
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethanol
CID 166899340
[1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
CID 131939705
4-[[1-(6-bromo-2-pyridinyl)azepan-4-yl]amino]butan-1-ol
CID 77231001
3-[[1-(2-chlorophenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004291
(3S,4S)-8-[1-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]pyrazolo[3,4-b]pyrazin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 171726055
N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16875988
3-(4-chlorophenyl)-N-[2-[(3R)-3-(2-hydroxyethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 58628338
N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol (CID 167304886) is 2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol is OCCNC1CCN(c2cnc3c(cnn3-c3cccc(Cl)c3Cl)n2)CC1.
What is the InChIKey of 2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol?
The InChIKey is PBHBOPXWPFDRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N6O/c19-13-2-1-3-15(17(13)20)26-18-14(10-23-26)24-16(11-22-18)25-7-4-12(5-8-25)21-6-9-27/h1-3,10-12,21,27H,4-9H2.
What are the key properties of 2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol?
2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol has a molecular weight of 407.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[1-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-5-yl]piperidin-4-yl]amino]ethanol is sourced from PubChem (CID 167304886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).