(11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene

C17H14F2N6 — CID 163302640

IUPAC(11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
SMILESC[C@@H]1CN2C(c3c(F)cccc3F)=Nc3cn[nH]c3-c3cnn(c32)C1
InChIInChI=1S/C17H14F2N6/c1-9-7-24-16(14-11(18)3-2-4-12(14)19)22-13-6-20-23-15(13)10-5-21-25(8-9)17(10)24/h2-6,9H,7-8H2,1H3,(H,20,23)/t9-/m1/s1
InChIKeyCNNZHWZWPRLACE-SECBINFHSA-N
MW340.34 g/mol
LogP3.10
Rot. Bonds1

About (11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene

(11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene (PubChem CID 163302640) has the molecular formula C17H14F2N6 and a molecular weight of 340.34 g/mol. Its IUPAC name is (11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene.

Molecular Properties

Compound Name(11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
PubChem CID163302640
Molecular FormulaC17H14F2N6
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name(11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
SMILESC[C@@H]1CN2C(c3c(F)cccc3F)=Nc3cn[nH]c3-c3cnn(c32)C1
InChIInChI=1S/C17H14F2N6/c1-9-7-24-16(14-11(18)3-2-4-12(14)19)22-13-6-20-23-15(13)10-5-21-25(8-9)17(10)24/h2-6,9H,7-8H2,1H3,(H,20,23)/t9-/m1/s1
InChIKeyCNNZHWZWPRLACE-SECBINFHSA-N
XLogP3.10
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene with MolForge

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Related Compounds

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N-(1-propan-2-yltriazol-4-yl)-1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of (11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
The IUPAC name of (11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene (CID 163302640) is (11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene.
What is the SMILES notation for (11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
The canonical SMILES for (11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene is C[C@@H]1CN2C(c3c(F)cccc3F)=Nc3cn[nH]c3-c3cnn(c32)C1.
What is the InChIKey of (11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
The InChIKey is CNNZHWZWPRLACE-SECBINFHSA-N. The full InChI is InChI=1S/C17H14F2N6/c1-9-7-24-16(14-11(18)3-2-4-12(14)19)22-13-6-20-23-15(13)10-5-21-25(8-9)17(10)24/h2-6,9H,7-8H2,1H3,(H,20,23)/t9-/m1/s1.
What are the key properties of (11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
(11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene has a molecular weight of 340.34 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-8-(2,6-difluorophenyl)-11-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene is sourced from PubChem (CID 163302640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).