1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

C17H17Cl3N6 — CID 147667084

IUPAC1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2Cl)CC1
InChIInChI=1S/C17H17Cl3N6/c1-17(21)5-7-26(8-6-17)16-14(20)22-13-12(24-25-15(13)23-16)9-3-2-4-10(18)11(9)19/h2-4H,5-8,21H2,1H3,(H,23,24,25)
InChIKeyGMMYNGZNVPRARM-UHFFFAOYSA-N
MW411.72 g/mol
LogP4.30
Rot. Bonds2

About 1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (PubChem CID 147667084) has the molecular formula C17H17Cl3N6 and a molecular weight of 411.72 g/mol. Its IUPAC name is 1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
PubChem CID147667084
Molecular FormulaC17H17Cl3N6
Molecular Weight411.72 g/mol
Exact Mass410.06
IUPAC Name1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2Cl)CC1
InChIInChI=1S/C17H17Cl3N6/c1-17(21)5-7-26(8-6-17)16-14(20)22-13-12(24-25-15(13)23-16)9-3-2-4-10(18)11(9)19/h2-4H,5-8,21H2,1H3,(H,23,24,25)
InChIKeyGMMYNGZNVPRARM-UHFFFAOYSA-N
XLogP4.30
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.72
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (CID 147667084) is 1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2Cl)CC1.
What is the InChIKey of 1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
The InChIKey is GMMYNGZNVPRARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N6/c1-17(21)5-7-26(8-6-17)16-14(20)22-13-12(24-25-15(13)23-16)9-3-2-4-10(18)11(9)19/h2-4H,5-8,21H2,1H3,(H,23,24,25).
What are the key properties of 1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?
1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine has a molecular weight of 411.72 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 147667084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).