2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide

C23H23FN6O2 — CID 175117311

IUPAC2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide
SMILESCc1cnc2c(c1)c(=O)n1nc(C3CCCCC3)cc1n2CC(=O)Nc1ccc(F)cn1
InChIInChI=1S/C23H23FN6O2/c1-14-9-17-22(26-11-14)29(13-20(31)27-19-8-7-16(24)12-25-19)21-10-18(28-30(21)23(17)32)15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,25,27,31)
InChIKeyLCUXCDKRRHZPPA-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.57
Rot. Bonds4

About 2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide

2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide (PubChem CID 175117311) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide
PubChem CID175117311
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide
SMILESCc1cnc2c(c1)c(=O)n1nc(C3CCCCC3)cc1n2CC(=O)Nc1ccc(F)cn1
InChIInChI=1S/C23H23FN6O2/c1-14-9-17-22(26-11-14)29(13-20(31)27-19-8-7-16(24)12-25-19)21-10-18(28-30(21)23(17)32)15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,25,27,31)
InChIKeyLCUXCDKRRHZPPA-UHFFFAOYSA-N
XLogP3.57
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide with MolForge

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Related Compounds

N-(5-fluoro-2-pyridinyl)-2-[12-methyl-8-oxo-5-(thian-4-yl)-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl]acetamide
CID 156704054
2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 175121313
2-[5-(cyclopropylamino)-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 175354076
N-(5-fluoro-2-pyridinyl)-2-(8-oxo-5-prop-1-en-2-yl-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)acetamide
CID 156703976
(3R)-3-[8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-11-yl]pyrrolidine-1-carboxylic acid
CID 160915695
N-(5-fluoro-2-pyridinyl)-2-[8-oxo-5-(oxolan-3-ylamino)-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl]acetamide
CID 156704070
2-(2,6-dioxo-5-propan-2-yl-11-pyrrolidin-3-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-(5-fluoro-2-pyridinyl)acetamide
CID 142564891
2-[5-tert-butyl-8-oxo-12-(propan-2-ylamino)-2,6,7,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(13),3,5,9,11-pentaen-2-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 175121316
2-(1,1-dioxothian-4-yl)-4-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-7-oxo-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 175123250
2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 156704031
2-(5-tert-butyl-8-oxo-12-propan-2-yl-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide
CID 175115938
2-[5-(cyclohexylmethyl)-11-ethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide;hydrochloride
CID 160721409

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide?
The IUPAC name of 2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide (CID 175117311) is 2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide is Cc1cnc2c(c1)c(=O)n1nc(C3CCCCC3)cc1n2CC(=O)Nc1ccc(F)cn1.
What is the InChIKey of 2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide?
The InChIKey is LCUXCDKRRHZPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-14-9-17-22(26-11-14)29(13-20(31)27-19-8-7-16(24)12-25-19)21-10-18(28-30(21)23(17)32)15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,25,27,31).
What are the key properties of 2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide?
2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide has a molecular weight of 434.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide is sourced from PubChem (CID 175117311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).