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

C22H27N7O3 — CID 162652540

IUPAC[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1-c1[nH]nc2nc(NC3CCN(C(=O)N4CCOCC4)CC3)ncc12
InChIInChI=1S/C22H27N7O3/c1-31-18-5-3-2-4-16(18)19-17-14-23-21(25-20(17)27-26-19)24-15-6-8-28(9-7-15)22(30)29-10-12-32-13-11-29/h2-5,14-15H,6-13H2,1H3,(H2,23,24,25,26,27)
InChIKeyMFHDTSXVOMAELU-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.36
Rot. Bonds4

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

[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 162652540) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is [4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID162652540
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC Name[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1-c1[nH]nc2nc(NC3CCN(C(=O)N4CCOCC4)CC3)ncc12
InChIInChI=1S/C22H27N7O3/c1-31-18-5-3-2-4-16(18)19-17-14-23-21(25-20(17)27-26-19)24-15-6-8-28(9-7-15)22(30)29-10-12-32-13-11-29/h2-5,14-15H,6-13H2,1H3,(H2,23,24,25,26,27)
InChIKeyMFHDTSXVOMAELU-UHFFFAOYSA-N
XLogP2.36
TPSA108.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone (CID 162652540) is [4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone is COc1ccccc1-c1[nH]nc2nc(NC3CCN(C(=O)N4CCOCC4)CC3)ncc12.
What is the InChIKey of [4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is MFHDTSXVOMAELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-31-18-5-3-2-4-16(18)19-17-14-23-21(25-20(17)27-26-19)24-15-6-8-28(9-7-15)22(30)29-10-12-32-13-11-29/h2-5,14-15H,6-13H2,1H3,(H2,23,24,25,26,27).
What are the key properties of [4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone?
[4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 437.50 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 162652540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).