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

C23H25N7O — CID 121357899

IUPAC1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(O)CC4)n3)c2)cn1
InChIInChI=1S/C23H25N7O/c1-28-14-18(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/h3-5,10-15,20,31H,6-9H2,1-2H3
InChIKeyYWZQSFLJSQHSAX-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.91
Rot. Bonds4

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-4-ol (PubChem CID 121357899) has the molecular formula C23H25N7O and a molecular weight of 415.50 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.

Molecular Properties

Compound Name1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol
PubChem CID121357899
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(O)CC4)n3)c2)cn1
InChIInChI=1S/C23H25N7O/c1-28-14-18(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/h3-5,10-15,20,31H,6-9H2,1-2H3
InChIKeyYWZQSFLJSQHSAX-UHFFFAOYSA-N
XLogP2.91
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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?
The IUPAC name of 1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol (CID 121357899) is 1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-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?
The canonical SMILES for 1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol is Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCC(O)CC4)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?
The InChIKey is YWZQSFLJSQHSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-28-14-18(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/h3-5,10-15,20,31H,6-9H2,1-2H3.
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-4-ol has a molecular weight of 415.50 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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 is sourced from PubChem (CID 121357899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).