6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride

C17H15ClF3N7O2 — CID 167345049

IUPAC6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride
SMILESCl.FC(F)(F)c1cc(Nc2nc(N3CCOCC3)c3oc4ncccc4c3n2)n[nH]1
InChIInChI=1S/C17H14F3N7O2.ClH/c18-17(19,20)10-8-11(26-25-10)22-16-23-12-9-2-1-3-21-15(9)29-13(12)14(24-16)27-4-6-28-7-5-27;/h1-3,8H,4-7H2,(H2,22,23,24,25,26);1H
InChIKeyJFAWGLOMMLJJTI-UHFFFAOYSA-N
MW441.80 g/mol
LogP3.51
Rot. Bonds3

About 6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride

6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride (PubChem CID 167345049) has the molecular formula C17H15ClF3N7O2 and a molecular weight of 441.80 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride
PubChem CID167345049
Molecular FormulaC17H15ClF3N7O2
Molecular Weight441.80 g/mol
Exact Mass441.09
IUPAC Name6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride
SMILESCl.FC(F)(F)c1cc(Nc2nc(N3CCOCC3)c3oc4ncccc4c3n2)n[nH]1
InChIInChI=1S/C17H14F3N7O2.ClH/c18-17(19,20)10-8-11(26-25-10)22-16-23-12-9-2-1-3-21-15(9)29-13(12)14(24-16)27-4-6-28-7-5-27;/h1-3,8H,4-7H2,(H2,22,23,24,25,26);1H
InChIKeyJFAWGLOMMLJJTI-UHFFFAOYSA-N
XLogP3.51
TPSA104.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.80
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride with MolForge

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Related Compounds

4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155461854
4-morpholin-4-yl-N-(5-phenyl-1H-pyrazol-3-yl)-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-amine
CID 166164600
6-morpholin-4-yl-12-[[(4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-4-[2-(trifluoromethyl)-1H-indol-4-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135312778
4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
CID 136564579
N-[5-(2-methyl-4-pyridinyl)-1H-pyrazol-3-yl]-4-morpholin-4-yl-6-pyridin-4-ylfuro[3,2-d]pyrimidin-2-amine;hydrochloride
CID 166164944
4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine
CID 166738481
1-[4-(3-hydroxyphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]piperidin-4-one
CID 56645381
4-morpholin-4-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 58507847
N-(4-chloro-5-methoxy-6-morpholin-4-ylpyrimidin-2-yl)-1H-indazol-3-amine
CID 166129433
2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
CID 53378052
N-methyl-4-morpholin-4-yl-2-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]furo[3,2-d]pyrimidine-6-carboxamide
CID 166738347
3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol
CID 129055829

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride?
The IUPAC name of 6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride (CID 167345049) is 6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride.
What is the SMILES notation for 6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride?
The canonical SMILES for 6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride is Cl.FC(F)(F)c1cc(Nc2nc(N3CCOCC3)c3oc4ncccc4c3n2)n[nH]1.
What is the InChIKey of 6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride?
The InChIKey is JFAWGLOMMLJJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7O2.ClH/c18-17(19,20)10-8-11(26-25-10)22-16-23-12-9-2-1-3-21-15(9)29-13(12)14(24-16)27-4-6-28-7-5-27;/h1-3,8H,4-7H2,(H2,22,23,24,25,26);1H.
What are the key properties of 6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride?
6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride has a molecular weight of 441.80 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-amine;hydrochloride is sourced from PubChem (CID 167345049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).