4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C26H29N7O — CID 44520814

IUPAC4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5cccnc5)nc43)CC2)cc1
InChIInChI=1S/C26H29N7O/c1-2-5-20(6-3-1)19-31-11-8-22(9-12-31)33-26-23(18-28-33)25(32-13-15-34-16-14-32)29-24(30-26)21-7-4-10-27-17-21/h1-7,10,17-18,22H,8-9,11-16,19H2
InChIKeySMFYFQKNPZPFGE-UHFFFAOYSA-N
MW455.57 g/mol
LogP3.56
Rot. Bonds5

About 4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 44520814) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID44520814
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5cccnc5)nc43)CC2)cc1
InChIInChI=1S/C26H29N7O/c1-2-5-20(6-3-1)19-31-11-8-22(9-12-31)33-26-23(18-28-33)25(32-13-15-34-16-14-32)29-24(30-26)21-7-4-10-27-17-21/h1-7,10,17-18,22H,8-9,11-16,19H2
InChIKeySMFYFQKNPZPFGE-UHFFFAOYSA-N
XLogP3.56
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 44520814) is 4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is c1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5cccnc5)nc43)CC2)cc1.
What is the InChIKey of 4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is SMFYFQKNPZPFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-2-5-20(6-3-1)19-31-11-8-22(9-12-31)33-26-23(18-28-33)25(32-13-15-34-16-14-32)29-24(30-26)21-7-4-10-27-17-21/h1-7,10,17-18,22H,8-9,11-16,19H2.
What are the key properties of 4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 455.57 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-benzylpiperidin-4-yl)-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 44520814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).