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

C20H18FN7O3 — CID 156704070

IUPACN-(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
SMILESO=C(Cn1c2ncccc2c(=O)n2nc(NC3CCOC3)cc12)Nc1ccc(F)cn1
InChIInChI=1S/C20H18FN7O3/c21-12-3-4-15(23-9-12)25-17(29)10-27-18-8-16(24-13-5-7-31-11-13)26-28(18)20(30)14-2-1-6-22-19(14)27/h1-4,6,8-9,13H,5,7,10-11H2,(H,24,26)(H,23,25,29)
InChIKeyPQSUUBYSOCSWIL-UHFFFAOYSA-N
MW423.41 g/mol
LogP1.42
Rot. Bonds5

About 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

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 (PubChem CID 156704070) has the molecular formula C20H18FN7O3 and a molecular weight of 423.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID156704070
Molecular FormulaC20H18FN7O3
Molecular Weight423.41 g/mol
Exact Mass423.15
IUPAC NameN-(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
SMILESO=C(Cn1c2ncccc2c(=O)n2nc(NC3CCOC3)cc12)Nc1ccc(F)cn1
InChIInChI=1S/C20H18FN7O3/c21-12-3-4-15(23-9-12)25-17(29)10-27-18-8-16(24-13-5-7-31-11-13)26-28(18)20(30)14-2-1-6-22-19(14)27/h1-4,6,8-9,13H,5,7,10-11H2,(H,24,26)(H,23,25,29)
InChIKeyPQSUUBYSOCSWIL-UHFFFAOYSA-N
XLogP1.42
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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-[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-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-[11-ethyl-5-(oxan-4-yl)-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
CID 142565155
2-[11-tert-butyl-5-(oxan-4-yl)-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
CID 148723829
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-[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-(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
4-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-2-(oxan-4-yl)-7-oxo-N-(1,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 175568149
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Cn1c2ncccc2c(=O)n2nc(NC3CCOC3)cc12)Nc1ccc(F)cn1.
What is the InChIKey of 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?
The InChIKey is PQSUUBYSOCSWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O3/c21-12-3-4-15(23-9-12)25-17(29)10-27-18-8-16(24-13-5-7-31-11-13)26-28(18)20(30)14-2-1-6-22-19(14)27/h1-4,6,8-9,13H,5,7,10-11H2,(H,24,26)(H,23,25,29).
What are the key properties of 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?
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 has a molecular weight of 423.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156704070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).