2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone

C22H26N6O2 — CID 162670744

IUPAC2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone
SMILESCOc1ccccc1-c1[nH]nc2nc(NC3CCN(C(=O)CC4CC4)CC3)ncc12
InChIInChI=1S/C22H26N6O2/c1-30-18-5-3-2-4-16(18)20-17-13-23-22(25-21(17)27-26-20)24-15-8-10-28(11-9-15)19(29)12-14-6-7-14/h2-5,13-15H,6-12H2,1H3,(H2,23,24,25,26,27)
InChIKeyIMIUDIWGDGQUKJ-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.23
Rot. Bonds6

About 2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone

2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone (PubChem CID 162670744) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone
PubChem CID162670744
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone
SMILESCOc1ccccc1-c1[nH]nc2nc(NC3CCN(C(=O)CC4CC4)CC3)ncc12
InChIInChI=1S/C22H26N6O2/c1-30-18-5-3-2-4-16(18)20-17-13-23-22(25-21(17)27-26-20)24-15-8-10-28(11-9-15)19(29)12-14-6-7-14/h2-5,13-15H,6-12H2,1H3,(H2,23,24,25,26,27)
InChIKeyIMIUDIWGDGQUKJ-UHFFFAOYSA-N
XLogP3.23
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone (CID 162670744) is 2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone is COc1ccccc1-c1[nH]nc2nc(NC3CCN(C(=O)CC4CC4)CC3)ncc12.
What is the InChIKey of 2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is IMIUDIWGDGQUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-30-18-5-3-2-4-16(18)20-17-13-23-22(25-21(17)27-26-20)24-15-8-10-28(11-9-15)19(29)12-14-6-7-14/h2-5,13-15H,6-12H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone?
2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 406.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 162670744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).