4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane

C19H24Cl2N6O — CID 145413061

IUPAC4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane
SMILESCC.NCC1(O)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1
InChIInChI=1S/C17H18Cl2N6O.C2H6/c18-11-3-1-2-10(13(11)19)14-15-16(24-23-14)22-12(8-21-15)25-6-4-17(26,9-20)5-7-25;1-2/h1-3,8,26H,4-7,9,20H2,(H,22,23,24);1-2H3
InChIKeyXDJDCURYGNKIHY-UHFFFAOYSA-N
MW423.35 g/mol
LogP3.64
Rot. Bonds3

About 4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane

4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane (PubChem CID 145413061) has the molecular formula C19H24Cl2N6O and a molecular weight of 423.35 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane.

Molecular Properties

Compound Name4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane
PubChem CID145413061
Molecular FormulaC19H24Cl2N6O
Molecular Weight423.35 g/mol
Exact Mass422.14
IUPAC Name4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane
SMILESCC.NCC1(O)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1
InChIInChI=1S/C17H18Cl2N6O.C2H6/c18-11-3-1-2-10(13(11)19)14-15-16(24-23-14)22-12(8-21-15)25-6-4-17(26,9-20)5-7-25;1-2/h1-3,8,26H,4-7,9,20H2,(H,22,23,24);1-2H3
InChIKeyXDJDCURYGNKIHY-UHFFFAOYSA-N
XLogP3.64
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166923
1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166959
(R)-2-((S)-4-(3-chloro-5-fluoro-6-(1H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-2-yl)piperazin-2-yl)-3-methylbutan-2-ol
CID 53354074
US10954243, Example 16
CID 152310635
US10280171, Example 38
CID 132166974
(4R)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine
CID 132167081
US10954243, Example 15
CID 153211342
(2R)-2-[(2S)-4-[5-chloro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
CID 71583246
2-[4-[3-(3-Chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol
CID 137639514
(3S,4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 155537362
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 6419826

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane?
The IUPAC name of 4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane (CID 145413061) is 4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane.
What is the SMILES notation for 4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane?
The canonical SMILES for 4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane is CC.NCC1(O)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane?
The InChIKey is XDJDCURYGNKIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N6O.C2H6/c18-11-3-1-2-10(13(11)19)14-15-16(24-23-14)22-12(8-21-15)25-6-4-17(26,9-20)5-7-25;1-2/h1-3,8,26H,4-7,9,20H2,(H,22,23,24);1-2H3.
What are the key properties of 4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane?
4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane has a molecular weight of 423.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol;ethane is sourced from PubChem (CID 145413061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).