4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C81H97N21O6 — CID 158093930

IUPAC4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESC=C(OC)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccncc4)nc32)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1.Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1
InChIInChI=1S/C32H39N7O3.C27H31N7O.C22H27N7O2/c1-32(2,3)42-31(40)34-25-11-9-24(10-12-25)28-35-29(38-17-19-41-20-18-38)27-21-33-39(30(27)36-28)26-13-15-37(16-14-26)22-23-7-5-4-6-8-23;28-22-8-6-21(7-9-22)25-30-26(33-14-16-35-17-15-33)24-18-29-34(27(24)31-25)23-10-12-32(13-11-23)19-20-4-2-1-3-5-20;1-16(30-2)27-9-5-18(6-10-27)29-22-19(15-24-29)21(28-11-13-31-14-12-28)25-20(26-22)17-3-7-23-8-4-17/h4-12,21,26H,13-20,22H2,1-3H3,(H,34,40);1-9,18,23H,10-17,19,28H2;3-4,7-8,15,18H,1,5-6,9-14H2,2H3
InChIKeyFOLCMDCMNFNSOJ-UHFFFAOYSA-N
MW1460.81 g/mol
LogP11.74
Rot. Bonds16

About 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 158093930) has the molecular formula C81H97N21O6 and a molecular weight of 1460.81 g/mol. Its IUPAC name is 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID158093930
Molecular FormulaC81H97N21O6
Molecular Weight1460.81 g/mol
Exact Mass1459.79
IUPAC Name4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESC=C(OC)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccncc4)nc32)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1.Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1
InChIInChI=1S/C32H39N7O3.C27H31N7O.C22H27N7O2/c1-32(2,3)42-31(40)34-25-11-9-24(10-12-25)28-35-29(38-17-19-41-20-18-38)27-21-33-39(30(27)36-28)26-13-15-37(16-14-26)22-23-7-5-4-6-8-23;28-22-8-6-21(7-9-22)25-30-26(33-14-16-35-17-15-33)24-18-29-34(27(24)31-25)23-10-12-32(13-11-23)19-20-4-2-1-3-5-20;1-16(30-2)27-9-5-18(6-10-27)29-22-19(15-24-29)21(28-11-13-31-14-12-28)25-20(26-22)17-3-7-23-8-4-17/h4-12,21,26H,13-20,22H2,1-3H3,(H,34,40);1-9,18,23H,10-17,19,28H2;3-4,7-8,15,18H,1,5-6,9-14H2,2H3
InChIKeyFOLCMDCMNFNSOJ-UHFFFAOYSA-N
XLogP11.74
TPSA264.40 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001460.81
LogP ≤ 511.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

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, 18
CID 25261231
1-(4-{4-Morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1h-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea
CID 44182308
Pyrazolo pyrimidine, 13
CID 44233160
Pyrazolo pyrimidine, 20
CID 44233388
Pyrazolo pyrimidine, 21
CID 44233389
Pyrazolo pyrimidine, 22
CID 44233390
Methyl 4-[6-[4-(cyclopropylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 44233391
Pyrazolo pyrimidine, 24
CID 44233639
Pyrazolo pyrimidine, 25
CID 44233640
Pyrazolo pyrimidine, 27
CID 44233641
Wye-687
CID 25229450

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 158093930) is 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is C=C(OC)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccncc4)nc32)CC1.CC(C)(C)OC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1.Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1.
What is the InChIKey of 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is FOLCMDCMNFNSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N7O3.C27H31N7O.C22H27N7O2/c1-32(2,3)42-31(40)34-25-11-9-24(10-12-25)28-35-29(38-17-19-41-20-18-38)27-21-33-39(30(27)36-28)26-13-15-37(16-14-26)22-23-7-5-4-6-8-23;28-22-8-6-21(7-9-22)25-30-26(33-14-16-35-17-15-33)24-18-29-34(27(24)31-25)23-10-12-32(13-11-23)19-20-4-2-1-3-5-20;1-16(30-2)27-9-5-18(6-10-27)29-22-19(15-24-29)21(28-11-13-31-14-12-28)25-20(26-22)17-3-7-23-8-4-17/h4-12,21,26H,13-20,22H2,1-3H3,(H,34,40);1-9,18,23H,10-17,19,28H2;3-4,7-8,15,18H,1,5-6,9-14H2,2H3.
What are the key properties of 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 1460.81 g/mol, XLogP of 11.74, 16 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]aniline;tert-butyl N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate;4-[1-[1-(1-methoxyethenyl)piperidin-4-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 158093930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).