(16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile

C19H17FN6O2 — CID 118002953

IUPAC(16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
SMILESC[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CNOc2ccc(F)cc21
InChIInChI=1S/C19H17FN6O2/c1-10-13-6-12(20)3-4-16(13)28-24-9-14-18(15(7-21)26(2)25-14)11-5-17(27-10)19(22)23-8-11/h3-6,8,10,24H,9H2,1-2H3,(H2,22,23)/t10-/m1/s1
InChIKeyWYIHRHJRZDGRKY-SNVBAGLBSA-N
MW380.38 g/mol
LogP2.61
Rot. Bonds

About (16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile

(16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile (PubChem CID 118002953) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is (16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile.

Molecular Properties

Compound Name(16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
PubChem CID118002953
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name(16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
SMILESC[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CNOc2ccc(F)cc21
InChIInChI=1S/C19H17FN6O2/c1-10-13-6-12(20)3-4-16(13)28-24-9-14-18(15(7-21)26(2)25-14)11-5-17(27-10)19(22)23-8-11/h3-6,8,10,24H,9H2,1-2H3,(H2,22,23)/t10-/m1/s1
InChIKeyWYIHRHJRZDGRKY-SNVBAGLBSA-N
XLogP2.61
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile 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 (16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile?
The IUPAC name of (16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile (CID 118002953) is (16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile.
What is the SMILES notation for (16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile?
The canonical SMILES for (16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile is C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CNOc2ccc(F)cc21.
What is the InChIKey of (16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile?
The InChIKey is WYIHRHJRZDGRKY-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-10-13-6-12(20)3-4-16(13)28-24-9-14-18(15(7-21)26(2)25-14)11-5-17(27-10)19(22)23-8-11/h3-6,8,10,24H,9H2,1-2H3,(H2,22,23)/t10-/m1/s1.
What are the key properties of (16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile?
(16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile has a molecular weight of 380.38 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile is sourced from PubChem (CID 118002953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).