N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine

C22H23F2N3O — CID 166986452

IUPACN-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine
SMILESCc1c2ccncc2cc2c3cc(OCC(C)NCC(F)F)ccc3n(C)c12
InChIInChI=1S/C22H23F2N3O/c1-13(26-11-21(23)24)12-28-16-4-5-20-18(9-16)19-8-15-10-25-7-6-17(15)14(2)22(19)27(20)3/h4-10,13,21,26H,11-12H2,1-3H3
InChIKeyNPSVQWUYSGXYFP-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.81
Rot. Bonds6

About N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine

N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine (PubChem CID 166986452) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine
PubChem CID166986452
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC NameN-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine
SMILESCc1c2ccncc2cc2c3cc(OCC(C)NCC(F)F)ccc3n(C)c12
InChIInChI=1S/C22H23F2N3O/c1-13(26-11-21(23)24)12-28-16-4-5-20-18(9-16)19-8-15-10-25-7-6-17(15)14(2)22(19)27(20)3/h4-10,13,21,26H,11-12H2,1-3H3
InChIKeyNPSVQWUYSGXYFP-UHFFFAOYSA-N
XLogP4.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine (CID 166986452) is N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine is Cc1c2ccncc2cc2c3cc(OCC(C)NCC(F)F)ccc3n(C)c12.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine?
The InChIKey is NPSVQWUYSGXYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O/c1-13(26-11-21(23)24)12-28-16-4-5-20-18(9-16)19-8-15-10-25-7-6-17(15)14(2)22(19)27(20)3/h4-10,13,21,26H,11-12H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine?
N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine has a molecular weight of 383.44 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine is sourced from PubChem (CID 166986452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).