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

C18H14F2N6 — CID 163302584

IUPAC8-(2,6-difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane]
SMILESFc1cccc(F)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CC1(CC1)C3
InChIInChI=1S/C18H14F2N6/c19-11-2-1-3-12(20)14(11)16-23-13-7-21-24-15(13)10-6-22-26-9-18(4-5-18)8-25(16)17(10)26/h1-3,6-7H,4-5,8-9H2,(H,21,24)
InChIKeyMMQKKDRJYINLDD-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.24
Rot. Bonds1

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

8-(2,6-difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane] (PubChem CID 163302584) has the molecular formula C18H14F2N6 and a molecular weight of 352.35 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane].

Molecular Properties

Compound Name8-(2,6-difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane]
PubChem CID163302584
Molecular FormulaC18H14F2N6
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name8-(2,6-difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane]
SMILESFc1cccc(F)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CC1(CC1)C3
InChIInChI=1S/C18H14F2N6/c19-11-2-1-3-12(20)14(11)16-23-13-7-21-24-15(13)10-6-22-26-9-18(4-5-18)8-25(16)17(10)26/h1-3,6-7H,4-5,8-9H2,(H,21,24)
InChIKeyMMQKKDRJYINLDD-UHFFFAOYSA-N
XLogP3.24
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(1-(6-(1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)-6-fluoroindoline
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N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(3,5-difluorophenyl)-6,8-dihydroimidazo[1,2-a]pyrazin-5-imine
CID 91146248
8-(4-fluorophenyl)-7-[1-(1H-pyrazol-5-yl)ethyl]-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 118169458
N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 139399062
5-(2,6-Difluorophenyl)-7-(1-methylpyrazol-3-yl)-1,4-dihydropyrazolo[4,5-c]pyridin-3-amine
CID 150513915
2-[5-(5-fluoro-2-pyridinyl)-4-methyl-1H-pyrazol-3-yl]-1,3-dihydroisoindole
CID 152382615
3-[4-[(2R)-butan-2-yl]-1H-pyrazol-5-yl]-4-[1-(2,6-difluorophenyl)ethenyl]-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 163302531
9-(2,6-Difluorophenyl)-12-methyl-4,5,8,10,14-pentazatricyclo[8.4.0.03,7]tetradeca-1,3(7),5,8-tetraen-14-amine
CID 163302540
4-[1-(2-chloro-6-fluorophenyl)ethenyl]-3-(4-methyl-1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 163302543
8-(2,6-Difluorophenyl)-14-methyl-3,4,7,9,13,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
CID 163302549
3-(4-butan-2-yl-1H-pyrazol-5-yl)-4-[1-(2,6-difluoro-3-methylphenyl)ethenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 163302551
8-(2,6-Difluorophenyl)-5-methyl-3,4,7,9,12,13-hexazatetracyclo[7.5.1.02,6.012,15]pentadeca-1(15),2,5,7,13-pentaene
CID 163302567

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane]?
The IUPAC name of 8-(2,6-difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane] (CID 163302584) is 8-(2,6-difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane].
What is the SMILES notation for 8-(2,6-difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane]?
The canonical SMILES for 8-(2,6-difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane] is Fc1cccc(F)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CC1(CC1)C3.
What is the InChIKey of 8-(2,6-difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane]?
The InChIKey is MMQKKDRJYINLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6/c19-11-2-1-3-12(20)14(11)16-23-13-7-21-24-15(13)10-6-22-26-9-18(4-5-18)8-25(16)17(10)26/h1-3,6-7H,4-5,8-9H2,(H,21,24).
What are the key properties of 8-(2,6-difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane]?
8-(2,6-difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane] has a molecular weight of 352.35 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)spiro[3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene-11,1'-cyclopropane] is sourced from PubChem (CID 163302584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).