4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C29H31N7O — CID 44520818

IUPAC4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5cc6ccccc6[nH]5)nc43)CC2)cc1
InChIInChI=1S/C29H31N7O/c1-2-6-21(7-3-1)20-34-12-10-23(11-13-34)36-29-24(19-30-36)28(35-14-16-37-17-15-35)32-27(33-29)26-18-22-8-4-5-9-25(22)31-26/h1-9,18-19,23,31H,10-17,20H2
InChIKeyLDTQDFBNNNCIHE-UHFFFAOYSA-N
MW493.62 g/mol
LogP4.65
Rot. Bonds5

About 4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 44520818) has the molecular formula C29H31N7O and a molecular weight of 493.62 g/mol. Its IUPAC name is 4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID44520818
Molecular FormulaC29H31N7O
Molecular Weight493.62 g/mol
Exact Mass493.26
IUPAC Name4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5cc6ccccc6[nH]5)nc43)CC2)cc1
InChIInChI=1S/C29H31N7O/c1-2-6-21(7-3-1)20-34-12-10-23(11-13-34)36-29-24(19-30-36)28(35-14-16-37-17-15-35)32-27(33-29)26-18-22-8-4-5-9-25(22)31-26/h1-9,18-19,23,31H,10-17,20H2
InChIKeyLDTQDFBNNNCIHE-UHFFFAOYSA-N
XLogP4.65
TPSA75.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 44520818) is 4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is c1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5cc6ccccc6[nH]5)nc43)CC2)cc1.
What is the InChIKey of 4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is LDTQDFBNNNCIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O/c1-2-6-21(7-3-1)20-34-12-10-23(11-13-34)36-29-24(19-30-36)28(35-14-16-37-17-15-35)32-27(33-29)26-18-22-8-4-5-9-25(22)31-26/h1-9,18-19,23,31H,10-17,20H2.
What are the key properties of 4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 493.62 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-benzylpiperidin-4-yl)-6-(1H-indol-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 44520818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).