(2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone

C18H27N3O2 — CID 127843413

IUPAC(2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
SMILESO=C(C1CCc2cn[nH]c2C1)N1CCOC(C2CCCCC2)C1
InChIInChI=1S/C18H27N3O2/c22-18(14-6-7-15-11-19-20-16(15)10-14)21-8-9-23-17(12-21)13-4-2-1-3-5-13/h11,13-14,17H,1-10,12H2,(H,19,20)
InChIKeyPCCRZYADERUHIP-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.32
Rot. Bonds2

About (2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone

(2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone (PubChem CID 127843413) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone.

Molecular Properties

Compound Name(2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
PubChem CID127843413
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone
SMILESO=C(C1CCc2cn[nH]c2C1)N1CCOC(C2CCCCC2)C1
InChIInChI=1S/C18H27N3O2/c22-18(14-6-7-15-11-19-20-16(15)10-14)21-8-9-23-17(12-21)13-4-2-1-3-5-13/h11,13-14,17H,1-10,12H2,(H,19,20)
InChIKeyPCCRZYADERUHIP-UHFFFAOYSA-N
XLogP2.32
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone?
The IUPAC name of (2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone (CID 127843413) is (2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone.
What is the SMILES notation for (2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone?
The canonical SMILES for (2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone is O=C(C1CCc2cn[nH]c2C1)N1CCOC(C2CCCCC2)C1.
What is the InChIKey of (2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone?
The InChIKey is PCCRZYADERUHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(14-6-7-15-11-19-20-16(15)10-14)21-8-9-23-17(12-21)13-4-2-1-3-5-13/h11,13-14,17H,1-10,12H2,(H,19,20).
What are the key properties of (2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone?
(2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone has a molecular weight of 317.43 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-6-yl)methanone is sourced from PubChem (CID 127843413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).