1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol

C69H75N21O3 — CID 161147039

IUPAC1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(O)C4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(O)CC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCCC(CO)C4)n3)c2)cn1
InChIInChI=1S/C24H27N7O.C23H25N7O.C22H23N7O/c1-29-14-20(10-26-29)18-6-3-7-19(9-18)23-25-12-22(21-11-27-30(2)15-21)24(28-23)31-8-4-5-17(13-31)16-32;1-28-14-18(11-25-28)16-4-3-5-17(10-16)22-24-13-21(19-12-26-29(2)15-19)23(27-22)30-8-6-20(31)7-9-30;1-27-12-17(9-24-27)15-4-3-5-16(8-15)21-23-11-20(18-10-25-28(2)13-18)22(26-21)29-7-6-19(30)14-29/h3,6-7,9-12,14-15,17,32H,4-5,8,13,16H2,1-2H3;3-5,10-15,20,31H,6-9H2,1-2H3;3-5,8-13,19,30H,6-7,14H2,1-2H3
InChIKeyUOERLKYJINTTKK-UHFFFAOYSA-N
MW1246.50 g/mol
LogP8.57
Rot. Bonds13

About 1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol

1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 161147039) has the molecular formula C69H75N21O3 and a molecular weight of 1246.50 g/mol. Its IUPAC name is 1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID161147039
Molecular FormulaC69H75N21O3
Molecular Weight1246.50 g/mol
Exact Mass1245.64
IUPAC Name1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(O)C4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(O)CC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCCC(CO)C4)n3)c2)cn1
InChIInChI=1S/C24H27N7O.C23H25N7O.C22H23N7O/c1-29-14-20(10-26-29)18-6-3-7-19(9-18)23-25-12-22(21-11-27-30(2)15-21)24(28-23)31-8-4-5-17(13-31)16-32;1-28-14-18(11-25-28)16-4-3-5-17(10-16)22-24-13-21(19-12-26-29(2)15-19)23(27-22)30-8-6-20(31)7-9-30;1-27-12-17(9-24-27)15-4-3-5-16(8-15)21-23-11-20(18-10-25-28(2)13-18)22(26-21)29-7-6-19(30)14-29/h3,6-7,9-12,14-15,17,32H,4-5,8,13,16H2,1-2H3;3-5,10-15,20,31H,6-9H2,1-2H3;3-5,8-13,19,30H,6-7,14H2,1-2H3
InChIKeyUOERLKYJINTTKK-UHFFFAOYSA-N
XLogP8.57
TPSA254.67 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001246.50
LogP ≤ 58.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 121357847
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 121347892
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;hydrochloride
CID 155661131
fluorocyclohexane;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 145086747
1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone
CID 72944763
[1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 175342095
N-[(2-aminocyclopentyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121347814
[1-[2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 167390214
N-[(1S,2R)-2-(methoxymethoxy)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 145087074
N-[(3,3-difluorocyclobutyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121357744
(1S,2S,6R)-2-fluoro-6-[3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propyl]cyclohexan-1-ol
CID 146245641
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(2S,7R)-8-oxabicyclo[5.1.0]octan-2-yl]pyrimidin-4-amine
CID 121357976

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol (CID 161147039) is 1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol is Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(O)C4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(O)CC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCCC(CO)C4)n3)c2)cn1.
What is the InChIKey of 1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is UOERLKYJINTTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O.C23H25N7O.C22H23N7O/c1-29-14-20(10-26-29)18-6-3-7-19(9-18)23-25-12-22(21-11-27-30(2)15-21)24(28-23)31-8-4-5-17(13-31)16-32;1-28-14-18(11-25-28)16-4-3-5-17(10-16)22-24-13-21(19-12-26-29(2)15-19)23(27-22)30-8-6-20(31)7-9-30;1-27-12-17(9-24-27)15-4-3-5-16(8-15)21-23-11-20(18-10-25-28(2)13-18)22(26-21)29-7-6-19(30)14-29/h3,6-7,9-12,14-15,17,32H,4-5,8,13,16H2,1-2H3;3-5,10-15,20,31H,6-9H2,1-2H3;3-5,8-13,19,30H,6-7,14H2,1-2H3.
What are the key properties of 1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 1246.50 g/mol, XLogP of 8.57, 13 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol;[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol;1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 161147039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).