2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide

C19H24F2N4O2 — CID 166288192

IUPAC2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide
SMILESCn1nc(CCNC(=O)N2CCOC(C3CC(F)(F)C3)C2)c2ccccc21
InChIInChI=1S/C19H24F2N4O2/c1-24-16-5-3-2-4-14(16)15(23-24)6-7-22-18(26)25-8-9-27-17(12-25)13-10-19(20,21)11-13/h2-5,13,17H,6-12H2,1H3,(H,22,26)
InChIKeyCTTWENBPXCOGSJ-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.57
Rot. Bonds4

About 2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide

2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide (PubChem CID 166288192) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide
PubChem CID166288192
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC Name2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide
SMILESCn1nc(CCNC(=O)N2CCOC(C3CC(F)(F)C3)C2)c2ccccc21
InChIInChI=1S/C19H24F2N4O2/c1-24-16-5-3-2-4-14(16)15(23-24)6-7-22-18(26)25-8-9-27-17(12-25)13-10-19(20,21)11-13/h2-5,13,17H,6-12H2,1H3,(H,22,26)
InChIKeyCTTWENBPXCOGSJ-UHFFFAOYSA-N
XLogP2.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide (CID 166288192) is 2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide is Cn1nc(CCNC(=O)N2CCOC(C3CC(F)(F)C3)C2)c2ccccc21.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is CTTWENBPXCOGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c1-24-16-5-3-2-4-14(16)15(23-24)6-7-22-18(26)25-8-9-27-17(12-25)13-10-19(20,21)11-13/h2-5,13,17H,6-12H2,1H3,(H,22,26).
What are the key properties of 2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide?
2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 166288192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).