4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine

C17H24N4O — CID 126772127

IUPAC4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine
SMILESc1cc2cn[nH]c2cc1CN1CCC(CN2CCOCC2)C1
InChIInChI=1S/C17H24N4O/c1-2-16-10-18-19-17(16)9-14(1)11-21-4-3-15(13-21)12-20-5-7-22-8-6-20/h1-2,9-10,15H,3-8,11-13H2,(H,18,19)
InChIKeyXRIITAXIPQLSAD-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.72
Rot. Bonds4

About 4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine

4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine (PubChem CID 126772127) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine
PubChem CID126772127
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine
SMILESc1cc2cn[nH]c2cc1CN1CCC(CN2CCOCC2)C1
InChIInChI=1S/C17H24N4O/c1-2-16-10-18-19-17(16)9-14(1)11-21-4-3-15(13-21)12-20-5-7-22-8-6-20/h1-2,9-10,15H,3-8,11-13H2,(H,18,19)
InChIKeyXRIITAXIPQLSAD-UHFFFAOYSA-N
XLogP1.72
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine (CID 126772127) is 4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine is c1cc2cn[nH]c2cc1CN1CCC(CN2CCOCC2)C1.
What is the InChIKey of 4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine?
The InChIKey is XRIITAXIPQLSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-16-10-18-19-17(16)9-14(1)11-21-4-3-15(13-21)12-20-5-7-22-8-6-20/h1-2,9-10,15H,3-8,11-13H2,(H,18,19).
What are the key properties of 4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine?
4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine has a molecular weight of 300.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1H-indazol-6-ylmethyl)pyrrolidin-3-yl]methyl]morpholine is sourced from PubChem (CID 126772127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).