[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate

C21H25N7O3 — CID 68866380

IUPAC[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCNCC4)c3n2)cc1
InChIInChI=1S/C21H25N7O3/c22-21(29)31-16-3-1-14(2-4-16)18-25-19(27-9-11-30-12-10-27)17-13-24-28(20(17)26-18)15-5-7-23-8-6-15/h1-4,13,15,23H,5-12H2,(H2,22,29)
InChIKeyLVPLBZZUEOBSKH-UHFFFAOYSA-N
MW423.48 g/mol
LogP1.71
Rot. Bonds4

About [4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate

[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate (PubChem CID 68866380) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is [4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate.

Molecular Properties

Compound Name[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate
PubChem CID68866380
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCNCC4)c3n2)cc1
InChIInChI=1S/C21H25N7O3/c22-21(29)31-16-3-1-14(2-4-16)18-25-19(27-9-11-30-12-10-27)17-13-24-28(20(17)26-18)15-5-7-23-8-6-15/h1-4,13,15,23H,5-12H2,(H2,22,29)
InChIKeyLVPLBZZUEOBSKH-UHFFFAOYSA-N
XLogP1.71
TPSA120.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-pyridin-4-ylurea
CID 69270964
1-cyclopropyl-3-[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]urea
CID 68865995
1-ethyl-3-[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]urea
CID 68865414
4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 44520824
methyl 4-[6-[4-[(4-fluorophenoxy)carbonylamino]phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 68866660
[4-[1-(1-benzoylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 68865060
[4-[1-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamic acid
CID 68866313
phenyl 4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 68866548
1-methyl-3-[4-[4-morpholin-4-yl-1-[(3S)-piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 68867726
1-methyl-3-[4-[4-morpholin-4-yl-1-(thian-4-yl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 68865284
methyl N-[4-[1-[1-(dimethylcarbamoyl)piperidin-4-yl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamate
CID 91608568
[4-[4-morpholin-4-yl-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamic acid
CID 87647347

Frequently Asked Questions

What is the IUPAC name of [4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate?
The IUPAC name of [4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate (CID 68866380) is [4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate.
What is the SMILES notation for [4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate?
The canonical SMILES for [4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate is NC(=O)Oc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCNCC4)c3n2)cc1.
What is the InChIKey of [4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate?
The InChIKey is LVPLBZZUEOBSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c22-21(29)31-16-3-1-14(2-4-16)18-25-19(27-9-11-30-12-10-27)17-13-24-28(20(17)26-18)15-5-7-23-8-6-15/h1-4,13,15,23H,5-12H2,(H2,22,29).
What are the key properties of [4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate?
[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate has a molecular weight of 423.48 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate is sourced from PubChem (CID 68866380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).