10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one

C20H14F2N4O2 — CID 170106326

IUPAC10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one
SMILESCn1c(=O)n2c3c4c(c(-c5ccc(F)nc5)c(F)cc4ncc31)OCC21CC1
InChIInChI=1S/C20H14F2N4O2/c1-25-13-8-23-12-6-11(21)15(10-2-3-14(22)24-7-10)18-16(12)17(13)26(19(25)27)20(4-5-20)9-28-18/h2-3,6-8H,4-5,9H2,1H3
InChIKeyACNYPTLWGPESJI-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.11
Rot. Bonds1

About 10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one

10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one (PubChem CID 170106326) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one
PubChem CID170106326
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one
SMILESCn1c(=O)n2c3c4c(c(-c5ccc(F)nc5)c(F)cc4ncc31)OCC21CC1
InChIInChI=1S/C20H14F2N4O2/c1-25-13-8-23-12-6-11(21)15(10-2-3-14(22)24-7-10)18-16(12)17(13)26(19(25)27)20(4-5-20)9-28-18/h2-3,6-8H,4-5,9H2,1H3
InChIKeyACNYPTLWGPESJI-UHFFFAOYSA-N
XLogP3.11
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one with MolForge

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Related Compounds

10-fluoro-2-methyl-9-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclobutane]-3-one
CID 170105364
10-fluoro-2-methyl-9-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one
CID 163217838
9-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-10-fluoro-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one
CID 170105370
11-(2H-azirin-3-yl)-10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclobutane]-3-one
CID 170106707
10-fluoro-2-methyl-9-[6-[(E)-3-methyl-5-piperidin-1-ylpent-1-enyl]-3-pyridinyl]spiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,3'-oxetane]-3-one
CID 170105176
9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one
CID 170108333
1'-ethyl-10-methoxy-2-methyl-9-(1-methylpyrazol-4-yl)spiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,3'-azetidine]-3-one
CID 170105321
9-[5-(cyclopropylsulfanylamino)-6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-10-fluoro-2,5,5-trimethyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one
CID 170105513
9-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-10-fluoro-6-(4-fluorophenyl)-2-methyl-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one
CID 163217827
6-[(dimethylamino)methyl]-10-fluoro-2-methyl-9-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one
CID 170104960
N-[2-[3-(dimethylamino)propoxy]-5-(10-fluoro-2,5-dimethyl-3-oxo-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-9-yl)-3-pyridinyl]cyclopropanesulfonamide
CID 170105456
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxetan-2-yl)imidazo[4,5-c]quinolin-2-one
CID 152570701

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one?
The IUPAC name of 10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one (CID 170106326) is 10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one.
What is the SMILES notation for 10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one?
The canonical SMILES for 10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one is Cn1c(=O)n2c3c4c(c(-c5ccc(F)nc5)c(F)cc4ncc31)OCC21CC1.
What is the InChIKey of 10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one?
The InChIKey is ACNYPTLWGPESJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c1-25-13-8-23-12-6-11(21)15(10-2-3-14(22)24-7-10)18-16(12)17(13)26(19(25)27)20(4-5-20)9-28-18/h2-3,6-8H,4-5,9H2,1H3.
What are the key properties of 10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one?
10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one has a molecular weight of 380.35 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one is sourced from PubChem (CID 170106326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).