(1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol

C18H23N7O — CID 45230228

IUPAC(1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCn1cc(-c2ccnc(N3CCC(C(O)c4nccn4C)CC3)n2)cn1
InChIInChI=1S/C18H23N7O/c1-23-10-7-19-17(23)16(26)13-4-8-25(9-5-13)18-20-6-3-15(22-18)14-11-21-24(2)12-14/h3,6-7,10-13,16,26H,4-5,8-9H2,1-2H3
InChIKeyQODGUFGIFHJXOY-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.56
Rot. Bonds4

About (1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol

(1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol (PubChem CID 45230228) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol
PubChem CID45230228
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name(1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESCn1cc(-c2ccnc(N3CCC(C(O)c4nccn4C)CC3)n2)cn1
InChIInChI=1S/C18H23N7O/c1-23-10-7-19-17(23)16(26)13-4-8-25(9-5-13)18-20-6-3-15(22-18)14-11-21-24(2)12-14/h3,6-7,10-13,16,26H,4-5,8-9H2,1-2H3
InChIKeyQODGUFGIFHJXOY-UHFFFAOYSA-N
XLogP1.56
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol (CID 45230228) is (1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol is Cn1cc(-c2ccnc(N3CCC(C(O)c4nccn4C)CC3)n2)cn1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol?
The InChIKey is QODGUFGIFHJXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-23-10-7-19-17(23)16(26)13-4-8-25(9-5-13)18-20-6-3-15(22-18)14-11-21-24(2)12-14/h3,6-7,10-13,16,26H,4-5,8-9H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol?
(1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol has a molecular weight of 353.43 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 45230228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).