4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine

C19H19N7O — CID 118930245

IUPAC4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine
SMILESCn1cc(-c2ccc3cnn(-c4cc(N5CCOCC5)ncn4)c3c2)cn1
InChIInChI=1S/C19H19N7O/c1-24-12-16(11-22-24)14-2-3-15-10-23-26(17(15)8-14)19-9-18(20-13-21-19)25-4-6-27-7-5-25/h2-3,8-13H,4-7H2,1H3
InChIKeyPEQBCFGVRPJHJC-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.05
Rot. Bonds3

About 4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine

4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 118930245) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine
PubChem CID118930245
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine
SMILESCn1cc(-c2ccc3cnn(-c4cc(N5CCOCC5)ncn4)c3c2)cn1
InChIInChI=1S/C19H19N7O/c1-24-12-16(11-22-24)14-2-3-15-10-23-26(17(15)8-14)19-9-18(20-13-21-19)25-4-6-27-7-5-25/h2-3,8-13H,4-7H2,1H3
InChIKeyPEQBCFGVRPJHJC-UHFFFAOYSA-N
XLogP2.05
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine (CID 118930245) is 4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine is Cn1cc(-c2ccc3cnn(-c4cc(N5CCOCC5)ncn4)c3c2)cn1.
What is the InChIKey of 4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is PEQBCFGVRPJHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-24-12-16(11-22-24)14-2-3-15-10-23-26(17(15)8-14)19-9-18(20-13-21-19)25-4-6-27-7-5-25/h2-3,8-13H,4-7H2,1H3.
What are the key properties of 4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 361.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(1-methylpyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 118930245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).