4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine

C20H20N6O — CID 90401078

IUPAC4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESCn1cc(-c2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)cn1
InChIInChI=1S/C20H20N6O/c1-25-13-16(12-22-25)14-2-3-18-17(10-14)20(24-23-18)15-4-5-21-19(11-15)26-6-8-27-9-7-26/h2-5,10-13H,6-9H2,1H3,(H,23,24)
InChIKeyXNRRBPGMIAMEFW-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.86
Rot. Bonds3

About 4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine

4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 90401078) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
PubChem CID90401078
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine
SMILESCn1cc(-c2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)cn1
InChIInChI=1S/C20H20N6O/c1-25-13-16(12-22-25)14-2-3-18-17(10-14)20(24-23-18)15-4-5-21-19(11-15)26-6-8-27-9-7-26/h2-5,10-13H,6-9H2,1H3,(H,23,24)
InChIKeyXNRRBPGMIAMEFW-UHFFFAOYSA-N
XLogP2.86
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine (CID 90401078) is 4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine is Cn1cc(-c2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)cn1.
What is the InChIKey of 4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is XNRRBPGMIAMEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-25-13-16(12-22-25)14-2-3-18-17(10-14)20(24-23-18)15-4-5-21-19(11-15)26-6-8-27-9-7-26/h2-5,10-13H,6-9H2,1H3,(H,23,24).
What are the key properties of 4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine?
4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 360.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 90401078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).