[(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol

C20H27N7O — CID 95870007

IUPAC[(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
SMILESCc1nn(C)c2nc(-c3ccncc3)nc(NCCN3CCCC[C@@H]3CO)c12
InChIInChI=1S/C20H27N7O/c1-14-17-19(22-10-12-27-11-4-3-5-16(27)13-28)23-18(15-6-8-21-9-7-15)24-20(17)26(2)25-14/h6-9,16,28H,3-5,10-13H2,1-2H3,(H,22,23,24)/t16-/m1/s1
InChIKeyQSYIBUSBASMZAJ-MRXNPFEDSA-N
MW381.48 g/mol
LogP1.99
Rot. Bonds6

About [(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol

[(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol (PubChem CID 95870007) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is [(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
PubChem CID95870007
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name[(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
SMILESCc1nn(C)c2nc(-c3ccncc3)nc(NCCN3CCCC[C@@H]3CO)c12
InChIInChI=1S/C20H27N7O/c1-14-17-19(22-10-12-27-11-4-3-5-16(27)13-28)23-18(15-6-8-21-9-7-15)24-20(17)26(2)25-14/h6-9,16,28H,3-5,10-13H2,1-2H3,(H,22,23,24)/t16-/m1/s1
InChIKeyQSYIBUSBASMZAJ-MRXNPFEDSA-N
XLogP1.99
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol 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 [(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol (CID 95870007) is [(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol is Cc1nn(C)c2nc(-c3ccncc3)nc(NCCN3CCCC[C@@H]3CO)c12.
What is the InChIKey of [(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
The InChIKey is QSYIBUSBASMZAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N7O/c1-14-17-19(22-10-12-27-11-4-3-5-16(27)13-28)23-18(15-6-8-21-9-7-15)24-20(17)26(2)25-14/h6-9,16,28H,3-5,10-13H2,1-2H3,(H,22,23,24)/t16-/m1/s1.
What are the key properties of [(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol?
[(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol has a molecular weight of 381.48 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 95870007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).