4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine

C23H22N6O — CID 135559059

IUPAC4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine
SMILESc1cc2[nH]c(-c3n[nH]c4cc(-c5cn[nH]c5)ccc34)cc2cc1CN1CCOCC1
InChIInChI=1S/C23H22N6O/c1-4-20-17(9-15(1)14-29-5-7-30-8-6-29)11-22(26-20)23-19-3-2-16(10-21(19)27-28-23)18-12-24-25-13-18/h1-4,9-13,26H,5-8,14H2,(H,24,25)(H,27,28)
InChIKeySYNHRWSDSNIWGA-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.93
Rot. Bonds4

About 4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine

4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine (PubChem CID 135559059) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine
PubChem CID135559059
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine
SMILESc1cc2[nH]c(-c3n[nH]c4cc(-c5cn[nH]c5)ccc34)cc2cc1CN1CCOCC1
InChIInChI=1S/C23H22N6O/c1-4-20-17(9-15(1)14-29-5-7-30-8-6-29)11-22(26-20)23-19-3-2-16(10-21(19)27-28-23)18-12-24-25-13-18/h1-4,9-13,26H,5-8,14H2,(H,24,25)(H,27,28)
InChIKeySYNHRWSDSNIWGA-UHFFFAOYSA-N
XLogP3.93
TPSA85.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine (CID 135559059) is 4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine is c1cc2[nH]c(-c3n[nH]c4cc(-c5cn[nH]c5)ccc34)cc2cc1CN1CCOCC1.
What is the InChIKey of 4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine?
The InChIKey is SYNHRWSDSNIWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-4-20-17(9-15(1)14-29-5-7-30-8-6-29)11-22(26-20)23-19-3-2-16(10-21(19)27-28-23)18-12-24-25-13-18/h1-4,9-13,26H,5-8,14H2,(H,24,25)(H,27,28).
What are the key properties of 4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine?
4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine has a molecular weight of 398.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine is sourced from PubChem (CID 135559059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).