(Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine

C16H14F2N6 — CID 163302554

IUPAC(Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine
SMILESN/C=C1/CCCN2C1=Nc1[nH]ncc1N=C2c1c(F)cccc1F
InChIInChI=1S/C16H14F2N6/c17-10-4-1-5-11(18)13(10)16-21-12-8-20-23-14(12)22-15-9(7-19)3-2-6-24(15)16/h1,4-5,7-8H,2-3,6,19H2,(H,20,23)/b9-7-
InChIKeyCNLWQWQGMNKWQY-CLFYSBASSA-N
MW328.33 g/mol
LogP2.75
Rot. Bonds1

About (Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine

(Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine (PubChem CID 163302554) has the molecular formula C16H14F2N6 and a molecular weight of 328.33 g/mol. Its IUPAC name is (Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine.

Molecular Properties

Compound Name(Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine
PubChem CID163302554
Molecular FormulaC16H14F2N6
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name(Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine
SMILESN/C=C1/CCCN2C1=Nc1[nH]ncc1N=C2c1c(F)cccc1F
InChIInChI=1S/C16H14F2N6/c17-10-4-1-5-11(18)13(10)16-21-12-8-20-23-14(12)22-15-9(7-19)3-2-6-24(15)16/h1,4-5,7-8H,2-3,6,19H2,(H,20,23)/b9-7-
InChIKeyCNLWQWQGMNKWQY-CLFYSBASSA-N
XLogP2.75
TPSA82.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine with MolForge

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Related Compounds

N5-(2-fluorophenyl)-5H-pyrazolo[3,4-d]pyrimidine-4,5-diamine
CID 135438583
4-Amino-5-(4-fluoroanilino)-pyrazolo[3,4-d]pyrimidine
CID 136997153
3-[(4-fluorophenyl)methyl]-5-(1H-pyrazol-4-yl)-5,6-dihydrotriazolo[4,5-b]pyridine
CID 68210439
5-[1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1,4-dihydropyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 68466599
5-[1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1,4-dihydropyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 68467001
5-[1-[(3,4-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1,4-dihydropyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 68469201
5-[1-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1,4-dihydropyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 68470876
1-[(3,4-difluorophenyl)methyl]-N-(1H-pyrazol-5-yl)piperidin-4-amine
CID 132036312
6-(2-fluorophenyl)-1-(1-methyl-5-piperazin-1-ylpyrazol-4-yl)-2H-pyridin-3-amine
CID 141313382
1-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)-2H-pyridin-3-amine
CID 141313395
(2S)-3-[5-(3-aminopiperidin-1-yl)-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-2H-1,3-thiazol-5-amine
CID 141313446
2-(3,5-difluorophenyl)-N'-(1H-pyrazol-5-yl)pyrrolidine-1-carboximidamide
CID 156138335

Frequently Asked Questions

What is the IUPAC name of (Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine?
The IUPAC name of (Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine (CID 163302554) is (Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine.
What is the SMILES notation for (Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine?
The canonical SMILES for (Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine is N/C=C1/CCCN2C1=Nc1[nH]ncc1N=C2c1c(F)cccc1F.
What is the InChIKey of (Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine?
The InChIKey is CNLWQWQGMNKWQY-CLFYSBASSA-N. The full InChI is InChI=1S/C16H14F2N6/c17-10-4-1-5-11(18)13(10)16-21-12-8-20-23-14(12)22-15-9(7-19)3-2-6-24(15)16/h1,4-5,7-8H,2-3,6,19H2,(H,20,23)/b9-7-.
What are the key properties of (Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine?
(Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine has a molecular weight of 328.33 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[9-(2,6-difluorophenyl)-2,4,5,8,10-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-ylidene]methanamine is sourced from PubChem (CID 163302554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).