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

C16H16N4O — CID 85472857

IUPAC4-[4-(1H-indazol-3-yl)-2-pyridinyl]morpholine
SMILESc1ccc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2c1
InChIInChI=1S/C16H16N4O/c1-2-4-14-13(3-1)16(19-18-14)12-5-6-17-15(11-12)20-7-9-21-10-8-20/h1-6,11H,7-10H2,(H,18,19)
InChIKeyMWEGLQVKDKYOIQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.46
Rot. Bonds2

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

4-[4-(1H-indazol-3-yl)-2-pyridinyl]morpholine (PubChem CID 85472857) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[4-(1H-indazol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(1H-indazol-3-yl)-2-pyridinyl]morpholine
PubChem CID85472857
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-[4-(1H-indazol-3-yl)-2-pyridinyl]morpholine
SMILESc1ccc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2c1
InChIInChI=1S/C16H16N4O/c1-2-4-14-13(3-1)16(19-18-14)12-5-6-17-15(11-12)20-7-9-21-10-8-20/h1-6,11H,7-10H2,(H,18,19)
InChIKeyMWEGLQVKDKYOIQ-UHFFFAOYSA-N
XLogP2.46
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indazol-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(1H-indazol-3-yl)-2-pyridinyl]morpholine (CID 85472857) is 4-[4-(1H-indazol-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(1H-indazol-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(1H-indazol-3-yl)-2-pyridinyl]morpholine is c1ccc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2c1.
What is the InChIKey of 4-[4-(1H-indazol-3-yl)-2-pyridinyl]morpholine?
The InChIKey is MWEGLQVKDKYOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-4-14-13(3-1)16(19-18-14)12-5-6-17-15(11-12)20-7-9-21-10-8-20/h1-6,11H,7-10H2,(H,18,19).
What are the key properties of 4-[4-(1H-indazol-3-yl)-2-pyridinyl]morpholine?
4-[4-(1H-indazol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 280.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indazol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 85472857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).