1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea

C24H28N8O2 — CID 118489457

IUPAC1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)n(C2CCCC2)n1
InChIInChI=1S/C24H28N8O2/c1-24(2,3)19-12-20(32(31-19)16-6-4-5-7-16)29-23(33)28-15-8-10-17(11-9-15)34-22-18-13-27-30-21(18)25-14-26-22/h8-14,16H,4-7H2,1-3H3,(H2,28,29,33)(H,25,26,27,30)
InChIKeyZFLODFPVHUDXBV-UHFFFAOYSA-N
MW460.54 g/mol
LogP5.40
Rot. Bonds5

About 1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea

1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea (PubChem CID 118489457) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
PubChem CID118489457
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)n(C2CCCC2)n1
InChIInChI=1S/C24H28N8O2/c1-24(2,3)19-12-20(32(31-19)16-6-4-5-7-16)29-23(33)28-15-8-10-17(11-9-15)34-22-18-13-27-30-21(18)25-14-26-22/h8-14,16H,4-7H2,1-3H3,(H2,28,29,33)(H,25,26,27,30)
InChIKeyZFLODFPVHUDXBV-UHFFFAOYSA-N
XLogP5.40
TPSA122.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[[(6S)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
CID 56970264
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CID 59394091
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N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394180
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide
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1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
The IUPAC name of 1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea (CID 118489457) is 1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea.
What is the SMILES notation for 1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
The canonical SMILES for 1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)n(C2CCCC2)n1.
What is the InChIKey of 1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
The InChIKey is ZFLODFPVHUDXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-24(2,3)19-12-20(32(31-19)16-6-4-5-7-16)29-23(33)28-15-8-10-17(11-9-15)34-22-18-13-27-30-21(18)25-14-26-22/h8-14,16H,4-7H2,1-3H3,(H2,28,29,33)(H,25,26,27,30).
What are the key properties of 1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea?
1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea has a molecular weight of 460.54 g/mol, XLogP of 5.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-cyclopentylpyrazol-5-yl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea is sourced from PubChem (CID 118489457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).