10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C14H10FN5 — CID 14953221

IUPAC10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESFc1ccccc1Cn1ncc2c1ncn1ccnc21
InChIInChI=1S/C14H10FN5/c15-12-4-2-1-3-10(12)8-20-14-11(7-18-20)13-16-5-6-19(13)9-17-14/h1-7,9H,8H2
InChIKeyZCYKKHDLFSAQTB-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.27
Rot. Bonds2

About 10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 14953221) has the molecular formula C14H10FN5 and a molecular weight of 267.27 g/mol. Its IUPAC name is 10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID14953221
Molecular FormulaC14H10FN5
Molecular Weight267.27 g/mol
Exact Mass267.09
IUPAC Name10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESFc1ccccc1Cn1ncc2c1ncn1ccnc21
InChIInChI=1S/C14H10FN5/c15-12-4-2-1-3-10(12)8-20-14-11(7-18-20)13-16-5-6-19(13)9-17-14/h1-7,9H,8H2
InChIKeyZCYKKHDLFSAQTB-UHFFFAOYSA-N
XLogP2.27
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-methoxypyrazolo[5,4-d]pyrimidine
CID 110168782
1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine
CID 142142282
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine
CID 168870637
N-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 123253972
hydron;imidazo[1,2-c]quinazoline
CID 174874267
5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
CID 137444694
1-[(2-fluorophenyl)methyl]-5-methylpyrazolo[3,4-b]pyridine-3-carbonitrile
CID 135270578
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one
CID 157406847
3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one
CID 114561555
4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 2736823
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 131874918
N-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 110704366

Frequently Asked Questions

What is the IUPAC name of 10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 14953221) is 10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Fc1ccccc1Cn1ncc2c1ncn1ccnc21.
What is the InChIKey of 10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is ZCYKKHDLFSAQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5/c15-12-4-2-1-3-10(12)8-20-14-11(7-18-20)13-16-5-6-19(13)9-17-14/h1-7,9H,8H2.
What are the key properties of 10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 267.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-fluorophenyl)methyl]-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 14953221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).