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

C19H18N6O — CID 118917381

IUPAC4-[4-[6-(1H-pyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESc1cc(-n2ncc3ccc(-c4cn[nH]c4)cc32)cc(N2CCOCC2)n1
InChIInChI=1S/C19H18N6O/c1-2-15-13-23-25(18(15)9-14(1)16-11-21-22-12-16)17-3-4-20-19(10-17)24-5-7-26-8-6-24/h1-4,9-13H,5-8H2,(H,21,22)
InChIKeyHIHQJZYXYDAFBY-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.65
Rot. Bonds3

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

4-[4-[6-(1H-pyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (PubChem CID 118917381) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[4-[6-(1H-pyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[6-(1H-pyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
PubChem CID118917381
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name4-[4-[6-(1H-pyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESc1cc(-n2ncc3ccc(-c4cn[nH]c4)cc32)cc(N2CCOCC2)n1
InChIInChI=1S/C19H18N6O/c1-2-15-13-23-25(18(15)9-14(1)16-11-21-22-12-16)17-3-4-20-19(10-17)24-5-7-26-8-6-24/h1-4,9-13H,5-8H2,(H,21,22)
InChIKeyHIHQJZYXYDAFBY-UHFFFAOYSA-N
XLogP2.65
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(1H-pyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[6-(1H-pyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (CID 118917381) is 4-[4-[6-(1H-pyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[6-(1H-pyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[6-(1H-pyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is c1cc(-n2ncc3ccc(-c4cn[nH]c4)cc32)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[6-(1H-pyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The InChIKey is HIHQJZYXYDAFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-2-15-13-23-25(18(15)9-14(1)16-11-21-22-12-16)17-3-4-20-19(10-17)24-5-7-26-8-6-24/h1-4,9-13H,5-8H2,(H,21,22).
What are the key properties of 4-[4-[6-(1H-pyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
4-[4-[6-(1H-pyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine has a molecular weight of 346.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(1H-pyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 118917381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).