(6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol

C21H20F6N6O2 — CID 163377082

IUPAC(6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol
SMILESNc1cc(C(F)(F)F)c2nc1-c1nnc(o1)[C@@](O)(C(F)(F)F)CCCCCC(c1ccccn1)N2
InChIInChI=1S/C21H20F6N6O2/c22-20(23,24)11-10-12(28)15-17-32-33-18(35-17)19(34,21(25,26)27)8-4-1-2-7-14(30-16(11)31-15)13-6-3-5-9-29-13/h3,5-6,9-10,14,34H,1-2,4,7-8,28H2,(H,30,31)/t14?,19-/m1/s1
InChIKeyFQDOOPDYTPRGAU-JANGERMGSA-N
MW502.42 g/mol
LogP4.99
Rot. Bonds1

About (6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol

(6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol (PubChem CID 163377082) has the molecular formula C21H20F6N6O2 and a molecular weight of 502.42 g/mol. Its IUPAC name is (6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol.

Molecular Properties

Compound Name(6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol
PubChem CID163377082
Molecular FormulaC21H20F6N6O2
Molecular Weight502.42 g/mol
Exact Mass502.16
IUPAC Name(6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol
SMILESNc1cc(C(F)(F)F)c2nc1-c1nnc(o1)[C@@](O)(C(F)(F)F)CCCCCC(c1ccccn1)N2
InChIInChI=1S/C21H20F6N6O2/c22-20(23,24)11-10-12(28)15-17-32-33-18(35-17)19(34,21(25,26)27)8-4-1-2-7-14(30-16(11)31-15)13-6-3-5-9-29-13/h3,5-6,9-10,14,34H,1-2,4,7-8,28H2,(H,30,31)/t14?,19-/m1/s1
InChIKeyFQDOOPDYTPRGAU-JANGERMGSA-N
XLogP4.99
TPSA122.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.42
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol?
The IUPAC name of (6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol (CID 163377082) is (6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol.
What is the SMILES notation for (6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol?
The canonical SMILES for (6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol is Nc1cc(C(F)(F)F)c2nc1-c1nnc(o1)[C@@](O)(C(F)(F)F)CCCCCC(c1ccccn1)N2.
What is the InChIKey of (6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol?
The InChIKey is FQDOOPDYTPRGAU-JANGERMGSA-N. The full InChI is InChI=1S/C21H20F6N6O2/c22-20(23,24)11-10-12(28)15-17-32-33-18(35-17)19(34,21(25,26)27)8-4-1-2-7-14(30-16(11)31-15)13-6-3-5-9-29-13/h3,5-6,9-10,14,34H,1-2,4,7-8,28H2,(H,30,31)/t14?,19-/m1/s1.
What are the key properties of (6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol?
(6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol has a molecular weight of 502.42 g/mol, XLogP of 4.99, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-17-amino-12-pyridin-2-yl-6,15-bis(trifluoromethyl)-19-oxa-3,4,13,18-tetrazatricyclo[12.3.1.12,5]nonadeca-1(17),2,4,14(18),15-pentaen-6-ol is sourced from PubChem (CID 163377082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).