N-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

C20H21F3N6O2 — CID 140675887

IUPACN-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESO=C(Nc1ccccn1)N1c2nc(N3CCOC(C(F)(F)F)C3)ccc2N2CCC1C2
InChIInChI=1S/C20H21F3N6O2/c21-20(22,23)15-12-28(9-10-31-15)17-5-4-14-18(26-17)29(13-6-8-27(14)11-13)19(30)25-16-3-1-2-7-24-16/h1-5,7,13,15H,6,8-12H2,(H,24,25,30)
InChIKeyXSEMIKWNHSLQBT-UHFFFAOYSA-N
MW434.42 g/mol
LogP2.87
Rot. Bonds2

About N-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide

N-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (PubChem CID 140675887) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
PubChem CID140675887
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC NameN-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
SMILESO=C(Nc1ccccn1)N1c2nc(N3CCOC(C(F)(F)F)C3)ccc2N2CCC1C2
InChIInChI=1S/C20H21F3N6O2/c21-20(22,23)15-12-28(9-10-31-15)17-5-4-14-18(26-17)29(13-6-8-27(14)11-13)19(30)25-16-3-1-2-7-24-16/h1-5,7,13,15H,6,8-12H2,(H,24,25,30)
InChIKeyXSEMIKWNHSLQBT-UHFFFAOYSA-N
XLogP2.87
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide with MolForge

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Related Compounds

4-amino-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56682558
1-(2-Morpholin-4-yl-3-pyridinyl)-3-(1-pyridin-2-ylethyl)urea
CID 71937794
8-cyclopentyl-5-ethyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one
CID 162658570
8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-7H-pteridin-6-one
CID 162658886
8-Cyclopentyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]-5,7-dihydropteridin-6-one
CID 162667492
1-(6-morpholin-4-yl-3-pyridinyl)-3-[(2S)-2-pyrrolidin-1-ylbutyl]urea
CID 94028546
1-[(3S)-1-methylpyrrolidin-3-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 94547945
1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95314482
4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]-N-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide
CID 57656785
[3-[(6-morpholin-4-ylpyridin-3-yl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 59764604
5-fluoro-N2-(6-morpholinopyridin-3-yl)-N4-(piperidin-3-yl)pyrimidine-2,4-diamine
CID 71014689
3-[[5-Fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 71014801

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The IUPAC name of N-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide (CID 140675887) is N-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The canonical SMILES for N-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is O=C(Nc1ccccn1)N1c2nc(N3CCOC(C(F)(F)F)C3)ccc2N2CCC1C2.
What is the InChIKey of N-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
The InChIKey is XSEMIKWNHSLQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c21-20(22,23)15-12-28(9-10-31-15)17-5-4-14-18(26-17)29(13-6-8-27(14)11-13)19(30)25-16-3-1-2-7-24-16/h1-5,7,13,15H,6,8-12H2,(H,24,25,30).
What are the key properties of N-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide?
N-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-5-[2-(trifluoromethyl)morpholin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide is sourced from PubChem (CID 140675887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).