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

C25H23ClFN5O2 — CID 58092283

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
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ncc(Cl)cc5F)cc4=O)nc31)CN1CCCC1C2
InChIInChI=1S/C25H23ClFN5O2/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
InChIKeyBMVSPMPDEDUYPD-UHFFFAOYSA-N
MW479.94 g/mol
LogP4.01
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

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 (PubChem CID 58092283) has the molecular formula C25H23ClFN5O2 and a molecular weight of 479.94 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.

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
PubChem CID58092283
Molecular FormulaC25H23ClFN5O2
Molecular Weight479.94 g/mol
Exact Mass479.15
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
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ncc(Cl)cc5F)cc4=O)nc31)CN1CCCC1C2
InChIInChI=1S/C25H23ClFN5O2/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
InChIKeyBMVSPMPDEDUYPD-UHFFFAOYSA-N
XLogP4.01
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 54.01
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 with MolForge

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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?
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 (CID 58092283) 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.
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?
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 is 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?
The InChIKey is BMVSPMPDEDUYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O2/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.
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?
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 has a molecular weight of 479.94 g/mol, XLogP of 4.01, 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 is sourced from PubChem (CID 58092283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).