6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine

C17H19Cl2N7 — CID 154640341

IUPAC6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine
SMILESCC1(N)CCN(c2cc(N)c3c(-c4ccnc(Cl)c4Cl)[nH]nc3n2)CC1
InChIInChI=1S/C17H19Cl2N7/c1-17(21)3-6-26(7-4-17)11-8-10(20)12-14(24-25-16(12)23-11)9-2-5-22-15(19)13(9)18/h2,5,8H,3-4,6-7,21H2,1H3,(H3,20,23,24,25)
InChIKeyMXCUSBBPPBJUJW-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.23
Rot. Bonds2

About 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine

6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 154640341) has the molecular formula C17H19Cl2N7 and a molecular weight of 392.29 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine
PubChem CID154640341
Molecular FormulaC17H19Cl2N7
Molecular Weight392.29 g/mol
Exact Mass391.11
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine
SMILESCC1(N)CCN(c2cc(N)c3c(-c4ccnc(Cl)c4Cl)[nH]nc3n2)CC1
InChIInChI=1S/C17H19Cl2N7/c1-17(21)3-6-26(7-4-17)11-8-10(20)12-14(24-25-16(12)23-11)9-2-5-22-15(19)13(9)18/h2,5,8H,3-4,6-7,21H2,1H3,(H3,20,23,24,25)
InChIKeyMXCUSBBPPBJUJW-UHFFFAOYSA-N
XLogP3.23
TPSA109.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine (CID 154640341) is 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine is CC1(N)CCN(c2cc(N)c3c(-c4ccnc(Cl)c4Cl)[nH]nc3n2)CC1.
What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is MXCUSBBPPBJUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N7/c1-17(21)3-6-26(7-4-17)11-8-10(20)12-14(24-25-16(12)23-11)9-2-5-22-15(19)13(9)18/h2,5,8H,3-4,6-7,21H2,1H3,(H3,20,23,24,25).
What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine?
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 392.29 g/mol, XLogP of 3.23, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 154640341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).