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

C19H16FN7O2 — CID 175354076

IUPAC2-[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
SMILESO=C(Cn1c2ncccc2c(=O)n2nc(NC3CC3)cc12)Nc1ccc(F)cn1
InChIInChI=1S/C19H16FN7O2/c20-11-3-6-14(22-9-11)24-16(28)10-26-17-8-15(23-12-4-5-12)25-27(17)19(29)13-2-1-7-21-18(13)26/h1-3,6-9,12H,4-5,10H2,(H,23,25)(H,22,24,28)
InChIKeyDFQKPSJIXCAXRP-UHFFFAOYSA-N
MW393.38 g/mol
LogP1.79
Rot. Bonds5

About 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

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 (PubChem CID 175354076) has the molecular formula C19H16FN7O2 and a molecular weight of 393.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID175354076
Molecular FormulaC19H16FN7O2
Molecular Weight393.38 g/mol
Exact Mass393.13
IUPAC Name2-[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
SMILESO=C(Cn1c2ncccc2c(=O)n2nc(NC3CC3)cc12)Nc1ccc(F)cn1
InChIInChI=1S/C19H16FN7O2/c20-11-3-6-14(22-9-11)24-16(28)10-26-17-8-15(23-12-4-5-12)25-27(17)19(29)13-2-1-7-21-18(13)26/h1-3,6-9,12H,4-5,10H2,(H,23,25)(H,22,24,28)
InChIKeyDFQKPSJIXCAXRP-UHFFFAOYSA-N
XLogP1.79
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-[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
N-cyclopropyl-5-fluoropyridin-2-amine
CID 61313330
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
N-cyclopropyl-8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-5-[(2S)-1-methoxypropan-2-yl]-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide
CID 142565135
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
N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide
CID 142565229

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Cn1c2ncccc2c(=O)n2nc(NC3CC3)cc12)Nc1ccc(F)cn1.
What is the InChIKey of 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?
The InChIKey is DFQKPSJIXCAXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O2/c20-11-3-6-14(22-9-11)24-16(28)10-26-17-8-15(23-12-4-5-12)25-27(17)19(29)13-2-1-7-21-18(13)26/h1-3,6-9,12H,4-5,10H2,(H,23,25)(H,22,24,28).
What are the key properties of 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?
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 has a molecular weight of 393.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175354076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).