[1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol

C19H26N6O — CID 110220013

IUPAC[1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
SMILESCCc1c(C)nc2cc(-c3nccn3C)nn2c1N1CCCC(CO)C1
InChIInChI=1S/C19H26N6O/c1-4-15-13(2)21-17-10-16(18-20-7-9-23(18)3)22-25(17)19(15)24-8-5-6-14(11-24)12-26/h7,9-10,14,26H,4-6,8,11-12H2,1-3H3
InChIKeyRPBFQCDLJMEUIJ-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.21
Rot. Bonds4

About [1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol

[1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol (PubChem CID 110220013) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is [1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
PubChem CID110220013
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name[1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
SMILESCCc1c(C)nc2cc(-c3nccn3C)nn2c1N1CCCC(CO)C1
InChIInChI=1S/C19H26N6O/c1-4-15-13(2)21-17-10-16(18-20-7-9-23(18)3)22-25(17)19(15)24-8-5-6-14(11-24)12-26/h7,9-10,14,26H,4-6,8,11-12H2,1-3H3
InChIKeyRPBFQCDLJMEUIJ-UHFFFAOYSA-N
XLogP2.21
TPSA71.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol (CID 110220013) is [1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol is CCc1c(C)nc2cc(-c3nccn3C)nn2c1N1CCCC(CO)C1.
What is the InChIKey of [1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
The InChIKey is RPBFQCDLJMEUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-4-15-13(2)21-17-10-16(18-20-7-9-23(18)3)22-25(17)19(15)24-8-5-6-14(11-24)12-26/h7,9-10,14,26H,4-6,8,11-12H2,1-3H3.
What are the key properties of [1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol?
[1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol has a molecular weight of 354.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 110220013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).