4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol

C28H33N7O2 — CID 118234168

IUPAC4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cc(-c3cnc(-c4cccc(-c5cnn(CCN6CCOCC6)c5)c4)nc3)cn2)CC1
InChIInChI=1S/C28H33N7O2/c36-27-6-4-26(5-7-27)35-20-25(18-32-35)23-15-29-28(30-16-23)22-3-1-2-21(14-22)24-17-31-34(19-24)9-8-33-10-12-37-13-11-33/h1-3,14-20,26-27,36H,4-13H2
InChIKeyPJXMHZVCECZCQL-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.68
Rot. Bonds7

About 4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol

4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 118234168) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol
PubChem CID118234168
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cc(-c3cnc(-c4cccc(-c5cnn(CCN6CCOCC6)c5)c4)nc3)cn2)CC1
InChIInChI=1S/C28H33N7O2/c36-27-6-4-26(5-7-27)35-20-25(18-32-35)23-15-29-28(30-16-23)22-3-1-2-21(14-22)24-17-31-34(19-24)9-8-33-10-12-37-13-11-33/h1-3,14-20,26-27,36H,4-13H2
InChIKeyPJXMHZVCECZCQL-UHFFFAOYSA-N
XLogP3.68
TPSA94.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

(1S,2S,6S)-2-fluoro-6-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 121347757
(1R,2R,6R)-2-fluoro-6-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 121347805
(1S,6R)-2,2-Difluoro-6-{5-(1-methyl-1H-pyrazol-4-yl)-2-[3-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyrimidin-4-ylamino}-cyclohexanol
CID 121347882
(3S,4S)-4-fluoro-1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-ol
CID 121357949
(1R,2S,6S)-2-(methylamino)-6-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 121347706
(1R,2S,3S)-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cycloheptane-1,2-diol
CID 121347794
(1R,2S,3R)-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexane-1,2-diol
CID 121347834
(1S,2R,3S)-3-{5-(1-Methyl-1H-pyrazol-4-yl)-2-[3-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyrimidin-4-ylamino}-cyclohexane-1,2-diol
CID 121347844
(1S,2R,3R)-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cycloheptane-1,2-diol
CID 121347881
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 121357741
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine
CID 121357762
trans-(1S,2S)-2-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 121357795

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol (CID 118234168) is 4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol is OC1CCC(n2cc(-c3cnc(-c4cccc(-c5cnn(CCN6CCOCC6)c5)c4)nc3)cn2)CC1.
What is the InChIKey of 4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is PJXMHZVCECZCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c36-27-6-4-26(5-7-27)35-20-25(18-32-35)23-15-29-28(30-16-23)22-3-1-2-21(14-22)24-17-31-34(19-24)9-8-33-10-12-37-13-11-33/h1-3,14-20,26-27,36H,4-13H2.
What are the key properties of 4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol?
4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 499.62 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 118234168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).