2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol

C18H18ClN7O — CID 136593331

IUPAC2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol
SMILESNc1ncnc2c1c(-c1cc3c(Cl)ccc(O)c3[nH]1)nn2C1CCNCC1
InChIInChI=1S/C18H18ClN7O/c19-11-1-2-13(27)15-10(11)7-12(24-15)16-14-17(20)22-8-23-18(14)26(25-16)9-3-5-21-6-4-9/h1-2,7-9,21,24,27H,3-6H2,(H2,20,22,23)
InChIKeyYRSCBKIESBYTAZ-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.84
Rot. Bonds2

About 2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol

2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol (PubChem CID 136593331) has the molecular formula C18H18ClN7O and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol.

Molecular Properties

Compound Name2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol
PubChem CID136593331
Molecular FormulaC18H18ClN7O
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol
SMILESNc1ncnc2c1c(-c1cc3c(Cl)ccc(O)c3[nH]1)nn2C1CCNCC1
InChIInChI=1S/C18H18ClN7O/c19-11-1-2-13(27)15-10(11)7-12(24-15)16-14-17(20)22-8-23-18(14)26(25-16)9-3-5-21-6-4-9/h1-2,7-9,21,24,27H,3-6H2,(H2,20,22,23)
InChIKeyYRSCBKIESBYTAZ-UHFFFAOYSA-N
XLogP2.84
TPSA117.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol?
The IUPAC name of 2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol (CID 136593331) is 2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol.
What is the SMILES notation for 2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol?
The canonical SMILES for 2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol is Nc1ncnc2c1c(-c1cc3c(Cl)ccc(O)c3[nH]1)nn2C1CCNCC1.
What is the InChIKey of 2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol?
The InChIKey is YRSCBKIESBYTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O/c19-11-1-2-13(27)15-10(11)7-12(24-15)16-14-17(20)22-8-23-18(14)26(25-16)9-3-5-21-6-4-9/h1-2,7-9,21,24,27H,3-6H2,(H2,20,22,23).
What are the key properties of 2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol?
2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol has a molecular weight of 383.84 g/mol, XLogP of 2.84, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-7-ol is sourced from PubChem (CID 136593331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).