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

C30H31N7O — CID 44520816

IUPAC4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6ncccc6c5)nc43)CC2)cc1
InChIInChI=1S/C30H31N7O/c1-2-5-22(6-3-1)21-35-13-10-25(11-14-35)37-30-26(20-32-37)29(36-15-17-38-18-16-36)33-28(34-30)24-8-9-27-23(19-24)7-4-12-31-27/h1-9,12,19-20,25H,10-11,13-18,21H2
InChIKeyWZQAKCHUPLEAER-UHFFFAOYSA-N
MW505.63 g/mol
LogP4.72
Rot. Bonds5

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

4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 44520816) has the molecular formula C30H31N7O and a molecular weight of 505.63 g/mol. Its IUPAC name is 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID44520816
Molecular FormulaC30H31N7O
Molecular Weight505.63 g/mol
Exact Mass505.26
IUPAC Name4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6ncccc6c5)nc43)CC2)cc1
InChIInChI=1S/C30H31N7O/c1-2-5-22(6-3-1)21-35-13-10-25(11-14-35)37-30-26(20-32-37)29(36-15-17-38-18-16-36)33-28(34-30)24-8-9-27-23(19-24)7-4-12-31-27/h1-9,12,19-20,25H,10-11,13-18,21H2
InChIKeyWZQAKCHUPLEAER-UHFFFAOYSA-N
XLogP4.72
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.63
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

Pf-04217903
CID 17754438
6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
Apy0201
CID 56927660
PF-04254644
CID 24871823
Ldn-212854
CID 60182388
Bay-41-8543
CID 9953906
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
1-Methyl-3-{4-[4-morpholin-4-yl-1-(1-pyridin-3-ylmethyl-piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl}-urea
CID 25260915
Pyrazolo pyrimidine, 24
CID 44233639
Pyrazolo pyrimidine, 25
CID 44233640
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 44520816) is 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is c1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6ncccc6c5)nc43)CC2)cc1.
What is the InChIKey of 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is WZQAKCHUPLEAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O/c1-2-5-22(6-3-1)21-35-13-10-25(11-14-35)37-30-26(20-32-37)29(36-15-17-38-18-16-36)33-28(34-30)24-8-9-27-23(19-24)7-4-12-31-27/h1-9,12,19-20,25H,10-11,13-18,21H2.
What are the key properties of 4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[1-(1-benzylpiperidin-4-yl)-6-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 505.63 g/mol, XLogP of 4.72, 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-quinolin-6-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 44520816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).