16-amino-5-cyclopropyl-11-(3,3-difluorocyclobutyl)-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

C19H19F2N5O2 — CID 162786211

IUPAC16-amino-5-cyclopropyl-11-(3,3-difluorocyclobutyl)-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
SMILESNc1ncnc2c1c1c(n2C2CC(F)(F)C2)CCC(O)c2c-1noc2C1CC1
InChIInChI=1S/C19H19F2N5O2/c20-19(21)5-9(6-19)26-10-3-4-11(27)13-15(25-28-16(13)8-1-2-8)12(10)14-17(22)23-7-24-18(14)26/h7-9,11,27H,1-6H2,(H2,22,23,24)
InChIKeyXSORFIARVXZGNI-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.50
Rot. Bonds2

About 16-amino-5-cyclopropyl-11-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-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 162786211) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 16-amino-5-cyclopropyl-11-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-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 CID162786211
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name16-amino-5-cyclopropyl-11-(3,3-difluorocyclobutyl)-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
SMILESNc1ncnc2c1c1c(n2C2CC(F)(F)C2)CCC(O)c2c-1noc2C1CC1
InChIInChI=1S/C19H19F2N5O2/c20-19(21)5-9(6-19)26-10-3-4-11(27)13-15(25-28-16(13)8-1-2-8)12(10)14-17(22)23-7-24-18(14)26/h7-9,11,27H,1-6H2,(H2,22,23,24)
InChIKeyXSORFIARVXZGNI-UHFFFAOYSA-N
XLogP3.50
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 16-amino-5-cyclopropyl-11-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-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 162786211) is 16-amino-5-cyclopropyl-11-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-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 Nc1ncnc2c1c1c(n2C2CC(F)(F)C2)CCC(O)c2c-1noc2C1CC1.
What is the InChIKey of 16-amino-5-cyclopropyl-11-(3,3-difluorocyclobutyl)-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 XSORFIARVXZGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c20-19(21)5-9(6-19)26-10-3-4-11(27)13-15(25-28-16(13)8-1-2-8)12(10)14-17(22)23-7-24-18(14)26/h7-9,11,27H,1-6H2,(H2,22,23,24).
What are the key properties of 16-amino-5-cyclopropyl-11-(3,3-difluorocyclobutyl)-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-(3,3-difluorocyclobutyl)-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 387.39 g/mol, XLogP of 3.50, 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-(3,3-difluorocyclobutyl)-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 162786211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).