4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile

C28H31N7O — CID 135249496

IUPAC4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CCN6CCOCC6)c5)cc4)c23)CC1
InChIInChI=1S/C28H31N7O/c29-17-21-1-3-24(4-2-21)27-28-26(19-32-35(28)10-9-30-27)23-7-5-22(6-8-23)25-18-31-34(20-25)12-11-33-13-15-36-16-14-33/h5-10,18-21,24H,1-4,11-16H2
InChIKeyDRBGCCBCIAKLII-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.39
Rot. Bonds6

About 4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile

4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile (PubChem CID 135249496) has the molecular formula C28H31N7O and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
PubChem CID135249496
Molecular FormulaC28H31N7O
Molecular Weight481.60 g/mol
Exact Mass481.26
IUPAC Name4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CCN6CCOCC6)c5)cc4)c23)CC1
InChIInChI=1S/C28H31N7O/c29-17-21-1-3-24(4-2-21)27-28-26(19-32-35(28)10-9-30-27)23-7-5-22(6-8-23)25-18-31-34(20-25)12-11-33-13-15-36-16-14-33/h5-10,18-21,24H,1-4,11-16H2
InChIKeyDRBGCCBCIAKLII-UHFFFAOYSA-N
XLogP4.39
TPSA84.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile with MolForge

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Related Compounds

4-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]morpholine;hydrochloride
CID 10274521
4-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzyl)morpholine
CID 10274522
Sdccgrch-0000111.P001
CID 11825589
US11168082, Cpd. No. 67
CID 142474822
US11168082, Cpd. No. 93
CID 142474932
US11168082, Cpd. No. 82
CID 142474969
(R)-7-(5-(1-(2-fluoro-3-hydroxy-3-methylbutyl)-1H-1,2,3-triazol-4-yl)-4-((4-morpholinobicyclo[2.2.2]octan-1-yl)amino)pyridin-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 146345351
4-[5-(1H-indazol-3-yl)-3-pyridinyl]morpholine
CID 137646685
3-(3,5-dimethyltriazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]-7-propan-2-ylpyrido[3,2-b]indole
CID 168273940
US10131664, Example 11
CID 121282994
US11168082, Cpd. No. 51
CID 135381331
US11168082, Cpd. No. 90
CID 142474856

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile (CID 135249496) is 4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile is N#CC1CCC(c2nccn3ncc(-c4ccc(-c5cnn(CCN6CCOCC6)c5)cc4)c23)CC1.
What is the InChIKey of 4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
The InChIKey is DRBGCCBCIAKLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O/c29-17-21-1-3-24(4-2-21)27-28-26(19-32-35(28)10-9-30-27)23-7-5-22(6-8-23)25-18-31-34(20-25)12-11-33-13-15-36-16-14-33/h5-10,18-21,24H,1-4,11-16H2.
What are the key properties of 4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile?
4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile has a molecular weight of 481.60 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 135249496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).