(5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone

C19H30N4O2S — CID 45165359

IUPAC(5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone
SMILESCCCn1nc(C(=O)N2CCSCC2)c2c1CCC(N1CCOCC1)C2
InChIInChI=1S/C19H30N4O2S/c1-2-5-23-17-4-3-15(21-6-10-25-11-7-21)14-16(17)18(20-23)19(24)22-8-12-26-13-9-22/h15H,2-14H2,1H3
InChIKeyLRRMDGXOVGBGDZ-UHFFFAOYSA-N
MW378.54 g/mol
LogP1.67
Rot. Bonds4

About (5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone

(5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone (PubChem CID 45165359) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is (5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone
PubChem CID45165359
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name(5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone
SMILESCCCn1nc(C(=O)N2CCSCC2)c2c1CCC(N1CCOCC1)C2
InChIInChI=1S/C19H30N4O2S/c1-2-5-23-17-4-3-15(21-6-10-25-11-7-21)14-16(17)18(20-23)19(24)22-8-12-26-13-9-22/h15H,2-14H2,1H3
InChIKeyLRRMDGXOVGBGDZ-UHFFFAOYSA-N
XLogP1.67
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone (CID 45165359) is (5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone is CCCn1nc(C(=O)N2CCSCC2)c2c1CCC(N1CCOCC1)C2.
What is the InChIKey of (5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is LRRMDGXOVGBGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-2-5-23-17-4-3-15(21-6-10-25-11-7-21)14-16(17)18(20-23)19(24)22-8-12-26-13-9-22/h15H,2-14H2,1H3.
What are the key properties of (5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone?
(5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 378.54 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-morpholin-4-yl-1-propyl-4,5,6,7-tetrahydroindazol-3-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 45165359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).