16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol

C19H20F3N5O2 — CID 146527594

IUPAC16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol
SMILESCC(C)n1c2c(c3c(N)ncnc31)-c1noc(C3CC3)c1C(O)(C(F)(F)F)CC2
InChIInChI=1S/C19H20F3N5O2/c1-8(2)27-10-5-6-18(28,19(20,21)22)13-14(26-29-15(13)9-3-4-9)11(10)12-16(23)24-7-25-17(12)27/h7-9,28H,3-6H2,1-2H3,(H2,23,24,25)
InChIKeyYUQXBYIYMHCAQU-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.82
Rot. Bonds2

About 16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol

16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol (PubChem CID 146527594) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is 16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol.

Molecular Properties

Compound Name16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol
PubChem CID146527594
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC Name16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol
SMILESCC(C)n1c2c(c3c(N)ncnc31)-c1noc(C3CC3)c1C(O)(C(F)(F)F)CC2
InChIInChI=1S/C19H20F3N5O2/c1-8(2)27-10-5-6-18(28,19(20,21)22)13-14(26-29-15(13)9-3-4-9)11(10)12-16(23)24-7-25-17(12)27/h7-9,28H,3-6H2,1-2H3,(H2,23,24,25)
InChIKeyYUQXBYIYMHCAQU-UHFFFAOYSA-N
XLogP3.82
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol?
The IUPAC name of 16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol (CID 146527594) is 16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol.
What is the SMILES notation for 16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol?
The canonical SMILES for 16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol is CC(C)n1c2c(c3c(N)ncnc31)-c1noc(C3CC3)c1C(O)(C(F)(F)F)CC2.
What is the InChIKey of 16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol?
The InChIKey is YUQXBYIYMHCAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-8(2)27-10-5-6-18(28,19(20,21)22)13-14(26-29-15(13)9-3-4-9)11(10)12-16(23)24-7-25-17(12)27/h7-9,28H,3-6H2,1-2H3,(H2,23,24,25).
What are the key properties of 16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol?
16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol has a molecular weight of 407.40 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 16-amino-5-cyclopropyl-11-propan-2-yl-7-(trifluoromethyl)-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-ol is sourced from PubChem (CID 146527594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).