4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine

C21H22N6O — CID 118917379

IUPAC4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESCCn1cc(-c2ccc3cnn(-c4ccnc(N5CCOCC5)c4)c3c2)cn1
InChIInChI=1S/C21H22N6O/c1-2-26-15-18(14-23-26)16-3-4-17-13-24-27(20(17)11-16)19-5-6-22-21(12-19)25-7-9-28-10-8-25/h3-6,11-15H,2,7-10H2,1H3
InChIKeySQEXHRAAZAWFTL-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.14
Rot. Bonds4

About 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine

4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (PubChem CID 118917379) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
PubChem CID118917379
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESCCn1cc(-c2ccc3cnn(-c4ccnc(N5CCOCC5)c4)c3c2)cn1
InChIInChI=1S/C21H22N6O/c1-2-26-15-18(14-23-26)16-3-4-17-13-24-27(20(17)11-16)19-5-6-22-21(12-19)25-7-9-28-10-8-25/h3-6,11-15H,2,7-10H2,1H3
InChIKeySQEXHRAAZAWFTL-UHFFFAOYSA-N
XLogP3.14
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (CID 118917379) is 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is CCn1cc(-c2ccc3cnn(-c4ccnc(N5CCOCC5)c4)c3c2)cn1.
What is the InChIKey of 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The InChIKey is SQEXHRAAZAWFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-2-26-15-18(14-23-26)16-3-4-17-13-24-27(20(17)11-16)19-5-6-22-21(12-19)25-7-9-28-10-8-25/h3-6,11-15H,2,7-10H2,1H3.
What are the key properties of 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine has a molecular weight of 374.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(1-ethylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 118917379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).