2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide

C20H14FN7O2 — CID 168948998

IUPAC2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide
SMILESN#Cc1ccc2c(=O)n(CC(=O)Nc3ccc(F)cn3)c3c(C4CC4)cnn3c2n1
InChIInChI=1S/C20H14FN7O2/c21-12-3-6-16(23-8-12)26-17(29)10-27-19-15(11-1-2-11)9-24-28(19)18-14(20(27)30)5-4-13(7-22)25-18/h3-6,8-9,11H,1-2,10H2,(H,23,26,29)
InChIKeyZPBRXILGDPTIQS-UHFFFAOYSA-N
MW403.38 g/mol
LogP1.97
Rot. Bonds4

About 2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide

2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide (PubChem CID 168948998) has the molecular formula C20H14FN7O2 and a molecular weight of 403.38 g/mol. Its IUPAC name is 2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide
PubChem CID168948998
Molecular FormulaC20H14FN7O2
Molecular Weight403.38 g/mol
Exact Mass403.12
IUPAC Name2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide
SMILESN#Cc1ccc2c(=O)n(CC(=O)Nc3ccc(F)cn3)c3c(C4CC4)cnn3c2n1
InChIInChI=1S/C20H14FN7O2/c21-12-3-6-16(23-8-12)26-17(29)10-27-19-15(11-1-2-11)9-24-28(19)18-14(20(27)30)5-4-13(7-22)25-18/h3-6,8-9,11H,1-2,10H2,(H,23,26,29)
InChIKeyZPBRXILGDPTIQS-UHFFFAOYSA-N
XLogP1.97
TPSA117.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide with MolForge

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Launch Full Analysis

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-[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
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
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-(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-tert-butyl-8-oxo-4-sulfanylidene-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5,10,12-tetraen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide
CID 164884904
[1-[4-cyano-8-oxo-12-(trifluoromethyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl] ethanesulfonate
CID 174224964
N-(4-cyanophenyl)-N'-(5-fluoro-2-pyridinyl)propanediamide
CID 138582553
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
2-[5-tert-butyl-8-oxo-12-(2,2,2-trifluoroethoxy)-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 156704074
2-[11-(4-cyclopropyl-3-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 175119225
2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 175121313

Frequently Asked Questions

What is the IUPAC name of 2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide?
The IUPAC name of 2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide (CID 168948998) is 2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide is N#Cc1ccc2c(=O)n(CC(=O)Nc3ccc(F)cn3)c3c(C4CC4)cnn3c2n1.
What is the InChIKey of 2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide?
The InChIKey is ZPBRXILGDPTIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN7O2/c21-12-3-6-16(23-8-12)26-17(29)10-27-19-15(11-1-2-11)9-24-28(19)18-14(20(27)30)5-4-13(7-22)25-18/h3-6,8-9,11H,1-2,10H2,(H,23,26,29).
What are the key properties of 2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide?
2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide has a molecular weight of 403.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-cyano-5-cyclopropyl-8-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl)-N-(5-fluoro-2-pyridinyl)acetamide is sourced from PubChem (CID 168948998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).