4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine

C20H30N6O — CID 134823035

IUPAC4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
SMILESC1=C(C2CCC3NNC(c4cc(N5CCOCC5)ncn4)C3C2)CCNC1
InChIInChI=1S/C20H30N6O/c1-2-17-16(11-15(1)14-3-5-21-6-4-14)20(25-24-17)18-12-19(23-13-22-18)26-7-9-27-10-8-26/h3,12-13,15-17,20-21,24-25H,1-2,4-11H2
InChIKeyRTEHGGTUEYBMLQ-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.17
Rot. Bonds3

About 4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine

4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 134823035) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
PubChem CID134823035
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
SMILESC1=C(C2CCC3NNC(c4cc(N5CCOCC5)ncn4)C3C2)CCNC1
InChIInChI=1S/C20H30N6O/c1-2-17-16(11-15(1)14-3-5-21-6-4-14)20(25-24-17)18-12-19(23-13-22-18)26-7-9-27-10-8-26/h3,12-13,15-17,20-21,24-25H,1-2,4-11H2
InChIKeyRTEHGGTUEYBMLQ-UHFFFAOYSA-N
XLogP1.17
TPSA74.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine (CID 134823035) is 4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine is C1=C(C2CCC3NNC(c4cc(N5CCOCC5)ncn4)C3C2)CCNC1.
What is the InChIKey of 4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is RTEHGGTUEYBMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-2-17-16(11-15(1)14-3-5-21-6-4-14)20(25-24-17)18-12-19(23-13-22-18)26-7-9-27-10-8-26/h3,12-13,15-17,20-21,24-25H,1-2,4-11H2.
What are the key properties of 4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 370.50 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 134823035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).