4-[(3,5-difluoro-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

C25H24ClF2N5O2 — CID 66603579

IUPAC4-[(3,5-difluoro-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(F)cc5F)cc4=O)nc31)CN1CCCC1C2
InChIInChI=1S/C25H23F2N5O2.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
InChIKeyXHGKCCUXUHCOHX-UHFFFAOYSA-N
MW499.95 g/mol
LogP3.92
Rot. Bonds4

About 4-[(3,5-difluoro-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-[(3,5-difluoro-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 66603579) has the molecular formula C25H24ClF2N5O2 and a molecular weight of 499.95 g/mol. Its IUPAC name is 4-[(3,5-difluoro-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-[(3,5-difluoro-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 CID66603579
Molecular FormulaC25H24ClF2N5O2
Molecular Weight499.95 g/mol
Exact Mass499.16
IUPAC Name4-[(3,5-difluoro-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(F)cc5F)cc4=O)nc31)CN1CCCC1C2
InChIInChI=1S/C25H23F2N5O2.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
InChIKeyXHGKCCUXUHCOHX-UHFFFAOYSA-N
XLogP3.92
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.95
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(3,5-difluoro-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-[(3,5-difluoro-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-[(3,5-difluoro-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 66603579) is 4-[(3,5-difluoro-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-[(3,5-difluoro-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-[(3,5-difluoro-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(F)cc5F)cc4=O)nc31)CN1CCCC1C2.
What is the InChIKey of 4-[(3,5-difluoro-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 XHGKCCUXUHCOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2.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-[(3,5-difluoro-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-[(3,5-difluoro-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 499.95 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluoro-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 66603579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).