4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride

C25H24Cl2FN5O2 — CID 157398382

IUPAC4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride
SMILESCl.Cn1c2c(c3ccc(-n4ccc(OCc5ncc(Cl)cc5F)cc4=O)nc31)CN1CCCC1C2
InChIInChI=1S/C25H23ClFN5O2.ClH/c1-30-22-10-16-3-2-7-31(16)13-19(22)18-4-5-23(29-25(18)30)32-8-6-17(11-24(32)33)34-14-21-20(27)9-15(26)12-28-21;/h4-6,8-9,11-12,16H,2-3,7,10,13-14H2,1H3;1H
InChIKeyGDAYVSAUZBJSRM-UHFFFAOYSA-N
MW516.40 g/mol
LogP4.43
Rot. Bonds4

About 4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride

4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride (PubChem CID 157398382) has the molecular formula C25H24Cl2FN5O2 and a molecular weight of 516.40 g/mol. Its IUPAC name is 4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride
PubChem CID157398382
Molecular FormulaC25H24Cl2FN5O2
Molecular Weight516.40 g/mol
Exact Mass515.13
IUPAC Name4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride
SMILESCl.Cn1c2c(c3ccc(-n4ccc(OCc5ncc(Cl)cc5F)cc4=O)nc31)CN1CCCC1C2
InChIInChI=1S/C25H23ClFN5O2.ClH/c1-30-22-10-16-3-2-7-31(16)13-19(22)18-4-5-23(29-25(18)30)32-8-6-17(11-24(32)33)34-14-21-20(27)9-15(26)12-28-21;/h4-6,8-9,11-12,16H,2-3,7,10,13-14H2,1H3;1H
InChIKeyGDAYVSAUZBJSRM-UHFFFAOYSA-N
XLogP4.43
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride with MolForge

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Related Compounds

4-((5-Chloropyridin-2-yl)methoxy)-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2(1H)-one
CID 89690396
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one
CID 49868799
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
CID 49870580
1-(9,15-Dimethyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-phenylmethoxypyridin-2-one
CID 50902097
4-[(2,4-Difluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
CID 50902098
4-[(2,4-Dichlorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
CID 50902099
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,16-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
CID 50902101
4-[(4-Chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
CID 50902181
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
CID 50902182
1-(4-Acetyl-5,8-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-phenylmethoxypyridin-2-one
CID 57524846
1-(8-Methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one
CID 58092269
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one
CID 58092271

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride?
The IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride (CID 157398382) is 4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride?
The canonical SMILES for 4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride is Cl.Cn1c2c(c3ccc(-n4ccc(OCc5ncc(Cl)cc5F)cc4=O)nc31)CN1CCCC1C2.
What is the InChIKey of 4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride?
The InChIKey is GDAYVSAUZBJSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O2.ClH/c1-30-22-10-16-3-2-7-31(16)13-19(22)18-4-5-23(29-25(18)30)32-8-6-17(11-24(32)33)34-14-21-20(27)9-15(26)12-28-21;/h4-6,8-9,11-12,16H,2-3,7,10,13-14H2,1H3;1H.
What are the key properties of 4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride?
4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride has a molecular weight of 516.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-fluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;hydrochloride is sourced from PubChem (CID 157398382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).