5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

C23H26F3N5O2 — CID 153185874

IUPAC5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2=CC(N3CCOC[C@@H]3C)C=C21
InChIInChI=1S/C23H26F3N5O2/c1-12(2)31-19(21-16-7-15(8-17(16)21)30-4-5-32-11-13(30)3)9-18(29-31)14-6-20(22(27)28-10-14)33-23(24,25)26/h6-10,12-13,15,21H,4-5,11H2,1-3H3,(H2,27,28)/t13-,15?,21?/m0/s1
InChIKeyWHBJGLYYDYODNW-PCODGMICSA-N
MW461.49 g/mol
LogP4.06
Rot. Bonds5

About 5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 153185874) has the molecular formula C23H26F3N5O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is 5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID153185874
Molecular FormulaC23H26F3N5O2
Molecular Weight461.49 g/mol
Exact Mass461.20
IUPAC Name5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2=CC(N3CCOC[C@@H]3C)C=C21
InChIInChI=1S/C23H26F3N5O2/c1-12(2)31-19(21-16-7-15(8-17(16)21)30-4-5-32-11-13(30)3)9-18(29-31)14-6-20(22(27)28-10-14)33-23(24,25)26/h6-10,12-13,15,21H,4-5,11H2,1-3H3,(H2,27,28)/t13-,15?,21?/m0/s1
InChIKeyWHBJGLYYDYODNW-PCODGMICSA-N
XLogP4.06
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 153185874) is 5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2=CC(N3CCOC[C@@H]3C)C=C21.
What is the InChIKey of 5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is WHBJGLYYDYODNW-PCODGMICSA-N. The full InChI is InChI=1S/C23H26F3N5O2/c1-12(2)31-19(21-16-7-15(8-17(16)21)30-4-5-32-11-13(30)3)9-18(29-31)14-6-20(22(27)28-10-14)33-23(24,25)26/h6-10,12-13,15,21H,4-5,11H2,1-3H3,(H2,27,28)/t13-,15?,21?/m0/s1.
What are the key properties of 5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 461.49 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 153185874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).