4-[(5-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

C25H25ClFN5O2 — CID 66603275

IUPAC4-[(5-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(OCc5ccc(F)cn5)cc4=O)nc31)CN1CCCC1C2
InChIInChI=1S/C25H24FN5O2.ClH/c1-29-22-11-18-3-2-9-30(18)14-21(22)20-6-7-23(28-25(20)29)31-10-8-19(12-24(31)32)33-15-17-5-4-16(26)13-27-17;/h4-8,10,12-13,18H,2-3,9,11,14-15H2,1H3;1H
InChIKeyMCNZYUGEBUXAHV-UHFFFAOYSA-N
MW481.96 g/mol
LogP3.78
Rot. Bonds4

About 4-[(5-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-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 66603275) has the molecular formula C25H25ClFN5O2 and a molecular weight of 481.96 g/mol. Its IUPAC name is 4-[(5-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-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 CID66603275
Molecular FormulaC25H25ClFN5O2
Molecular Weight481.96 g/mol
Exact Mass481.17
IUPAC Name4-[(5-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(OCc5ccc(F)cn5)cc4=O)nc31)CN1CCCC1C2
InChIInChI=1S/C25H24FN5O2.ClH/c1-29-22-11-18-3-2-9-30(18)14-21(22)20-6-7-23(28-25(20)29)31-10-8-19(12-24(31)32)33-15-17-5-4-16(26)13-27-17;/h4-8,10,12-13,18H,2-3,9,11,14-15H2,1H3;1H
InChIKeyMCNZYUGEBUXAHV-UHFFFAOYSA-N
XLogP3.78
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(5-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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Frequently Asked Questions

What is the IUPAC name of 4-[(5-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-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 66603275) is 4-[(5-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-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-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(OCc5ccc(F)cn5)cc4=O)nc31)CN1CCCC1C2.
What is the InChIKey of 4-[(5-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 MCNZYUGEBUXAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2.ClH/c1-29-22-11-18-3-2-9-30(18)14-21(22)20-6-7-23(28-25(20)29)31-10-8-19(12-24(31)32)33-15-17-5-4-16(26)13-27-17;/h4-8,10,12-13,18H,2-3,9,11,14-15H2,1H3;1H.
What are the key properties of 4-[(5-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-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 481.96 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-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 66603275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).