4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride

C23H31ClN6O — CID 126486018

IUPAC4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
SMILESCCc1nc(N2CCOCC2)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1.Cl
InChIInChI=1S/C23H30N6O.ClH/c1-3-21-26-22(28-8-10-30-11-9-28)14-23(27-21)29-20-13-19(17-4-6-24-7-5-17)16(2)12-18(20)15-25-29;/h12-15,17,24H,3-11H2,1-2H3;1H
InChIKeyNENAKGSIPJRNEG-UHFFFAOYSA-N
MW443.00 g/mol
LogP3.41
Rot. Bonds4

About 4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride

4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride (PubChem CID 126486018) has the molecular formula C23H31ClN6O and a molecular weight of 443.00 g/mol. Its IUPAC name is 4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
PubChem CID126486018
Molecular FormulaC23H31ClN6O
Molecular Weight443.00 g/mol
Exact Mass442.22
IUPAC Name4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride
SMILESCCc1nc(N2CCOCC2)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1.Cl
InChIInChI=1S/C23H30N6O.ClH/c1-3-21-26-22(28-8-10-30-11-9-28)14-23(27-21)29-20-13-19(17-4-6-24-7-5-17)16(2)12-18(20)15-25-29;/h12-15,17,24H,3-11H2,1-2H3;1H
InChIKeyNENAKGSIPJRNEG-UHFFFAOYSA-N
XLogP3.41
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.00
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride?
The IUPAC name of 4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride (CID 126486018) is 4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride is CCc1nc(N2CCOCC2)cc(-n2ncc3cc(C)c(C4CCNCC4)cc32)n1.Cl.
What is the InChIKey of 4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride?
The InChIKey is NENAKGSIPJRNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O.ClH/c1-3-21-26-22(28-8-10-30-11-9-28)14-23(27-21)29-20-13-19(17-4-6-24-7-5-17)16(2)12-18(20)15-25-29;/h12-15,17,24H,3-11H2,1-2H3;1H.
What are the key properties of 4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride?
4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride has a molecular weight of 443.00 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]morpholine;hydrochloride is sourced from PubChem (CID 126486018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).