4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine

C19H17N7O — CID 90398665

IUPAC4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine
SMILESc1cnc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)cn1
InChIInChI=1S/C19H17N7O/c1-2-15-14(9-13(1)17-11-20-3-4-21-17)19(25-24-15)16-10-18(23-12-22-16)26-5-7-27-8-6-26/h1-4,9-12H,5-8H2,(H,24,25)
InChIKeyCMXCXDHQHCAJHL-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.31
Rot. Bonds3

About 4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine

4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine (PubChem CID 90398665) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine
PubChem CID90398665
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine
SMILESc1cnc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)cn1
InChIInChI=1S/C19H17N7O/c1-2-15-14(9-13(1)17-11-20-3-4-21-17)19(25-24-15)16-10-18(23-12-22-16)26-5-7-27-8-6-26/h1-4,9-12H,5-8H2,(H,24,25)
InChIKeyCMXCXDHQHCAJHL-UHFFFAOYSA-N
XLogP2.31
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine (CID 90398665) is 4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine is c1cnc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)cn1.
What is the InChIKey of 4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine?
The InChIKey is CMXCXDHQHCAJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-2-15-14(9-13(1)17-11-20-3-4-21-17)19(25-24-15)16-10-18(23-12-22-16)26-5-7-27-8-6-26/h1-4,9-12H,5-8H2,(H,24,25).
What are the key properties of 4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine?
4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine has a molecular weight of 359.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-pyrazin-2-yl-1H-indazol-3-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 90398665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).