5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine

C20H21F2N5O2 — CID 122536152

IUPAC5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine
SMILESCC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)c(OC(F)F)c3)cc12
InChIInChI=1S/C20H21F2N5O2/c1-20(2)18-26-16-13(27(18)5-6-28-20)8-12(25-15(16)10-3-4-10)11-7-14(29-19(21)22)17(23)24-9-11/h7-10,19H,3-6H2,1-2H3,(H2,23,24)
InChIKeyRPNNGAHIVTWYLS-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.82
Rot. Bonds4

About 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine

5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 122536152) has the molecular formula C20H21F2N5O2 and a molecular weight of 401.42 g/mol. Its IUPAC name is 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine
PubChem CID122536152
Molecular FormulaC20H21F2N5O2
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine
SMILESCC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)c(OC(F)F)c3)cc12
InChIInChI=1S/C20H21F2N5O2/c1-20(2)18-26-16-13(27(18)5-6-28-20)8-12(25-15(16)10-3-4-10)11-7-14(29-19(21)22)17(23)24-9-11/h7-10,19H,3-6H2,1-2H3,(H2,23,24)
InChIKeyRPNNGAHIVTWYLS-UHFFFAOYSA-N
XLogP3.82
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine (CID 122536152) is 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine is CC1(C)OCCn2c1nc1c(C3CC3)nc(-c3cnc(N)c(OC(F)F)c3)cc12.
What is the InChIKey of 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine?
The InChIKey is RPNNGAHIVTWYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O2/c1-20(2)18-26-16-13(27(18)5-6-28-20)8-12(25-15(16)10-3-4-10)11-7-14(29-19(21)22)17(23)24-9-11/h7-10,19H,3-6H2,1-2H3,(H2,23,24).
What are the key properties of 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine?
5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 401.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 122536152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).