5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen

C19H21FN8O2 — CID 171084807

IUPAC5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen
SMILESCOc1ncc(F)cc1-n1nc2c(c1C)Nc1ncc3c(C)nn(c3n1)CCCO2.[H][H]
InChIInChI=1S/C19H19FN8O2.H2/c1-10-13-9-22-19-23-15-11(2)28(14-7-12(20)8-21-17(14)29-3)26-18(15)30-6-4-5-27(25-10)16(13)24-19;/h7-9H,4-6H2,1-3H3,(H,22,23,24);1H
InChIKeyGFHUWEQXMRKLET-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.94
Rot. Bonds2

About 5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen

5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen (PubChem CID 171084807) has the molecular formula C19H21FN8O2 and a molecular weight of 412.43 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen
PubChem CID171084807
Molecular FormulaC19H21FN8O2
Molecular Weight412.43 g/mol
Exact Mass412.18
IUPAC Name5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen
SMILESCOc1ncc(F)cc1-n1nc2c(c1C)Nc1ncc3c(C)nn(c3n1)CCCO2.[H][H]
InChIInChI=1S/C19H19FN8O2.H2/c1-10-13-9-22-19-23-15-11(2)28(14-7-12(20)8-21-17(14)29-3)26-18(15)30-6-4-5-27(25-10)16(13)24-19;/h7-9H,4-6H2,1-3H3,(H,22,23,24);1H
InChIKeyGFHUWEQXMRKLET-UHFFFAOYSA-N
XLogP2.94
TPSA104.80 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen with MolForge

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Related Compounds

14-chloro-5-(2,6-dimethyl-3-pyridinyl)-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
CID 171084816
14-chloro-5-[(3R,4S)-3-fluorooxan-4-yl]-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
CID 169284154
5-(4-ethoxybutan-2-yl)-4-methyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
CID 170114954
14-chloro-5-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
CID 169284165
14-chloro-5-(3-methoxyphenyl)-4-methyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 137418618
14-chloro-4-cyclopropyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene
CID 168735028
1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
CID 176811705
4,14-dimethyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15(19)-pentaene
CID 170114572
(11R)-4,11,14-trimethyl-5-(oxan-4-yl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 137418352
4,11,14-trimethyl-5-(oxan-4-yl)-8,12-dioxa-2,5,6,16,17-pentazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 142515128
2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 162760250
7-fluoro-1-piperidin-4-yl-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 145414420

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen?
The IUPAC name of 5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen (CID 171084807) is 5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen.
What is the SMILES notation for 5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen?
The canonical SMILES for 5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen is COc1ncc(F)cc1-n1nc2c(c1C)Nc1ncc3c(C)nn(c3n1)CCCO2.[H][H].
What is the InChIKey of 5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen?
The InChIKey is GFHUWEQXMRKLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN8O2.H2/c1-10-13-9-22-19-23-15-11(2)28(14-7-12(20)8-21-17(14)29-3)26-18(15)30-6-4-5-27(25-10)16(13)24-19;/h7-9H,4-6H2,1-3H3,(H,22,23,24);1H.
What are the key properties of 5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen?
5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen has a molecular weight of 412.43 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxy-3-pyridinyl)-4,14-dimethyl-8-oxa-2,5,6,12,13,17,18-heptazatetracyclo[10.5.2.03,7.015,19]nonadeca-1(17),3,6,13,15,18-hexaene;molecular hydrogen is sourced from PubChem (CID 171084807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).