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

C24H27N7O — CID 121357893

IUPAC[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCCC(CO)C4)n3)c2)cn1
InChIInChI=1S/C24H27N7O/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/h3,6-7,9-12,14-15,17,32H,4-5,8,13,16H2,1-2H3
InChIKeyQOSBOEZPLRNXCX-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.15
Rot. Bonds5

About [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]piperidin-3-yl]methanol (PubChem CID 121357893) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is [1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID121357893
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(N4CCCC(CO)C4)n3)c2)cn1
InChIInChI=1S/C24H27N7O/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/h3,6-7,9-12,14-15,17,32H,4-5,8,13,16H2,1-2H3
InChIKeyQOSBOEZPLRNXCX-UHFFFAOYSA-N
XLogP3.15
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.15
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-3-yl]methanol?
The IUPAC name of [1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 121357893) is [1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol is 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-3-yl]methanol?
The InChIKey is QOSBOEZPLRNXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/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/h3,6-7,9-12,14-15,17,32H,4-5,8,13,16H2,1-2H3.
What are the key properties of [1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 429.53 g/mol, XLogP of 3.15, 5 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-3-yl]methanol is sourced from PubChem (CID 121357893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).