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

C25H24FN5O2 — CID 58092271

IUPAC4-[(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
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)C1CCCN1CC2
InChIInChI=1S/C25H24FN5O2/c1-29-20-9-11-30-10-2-3-21(30)24(20)19-6-7-22(28-25(19)29)31-12-8-18(13-23(31)32)33-15-17-5-4-16(26)14-27-17/h4-8,12-14,21H,2-3,9-11,15H2,1H3
InChIKeyFMUBCVKNNHRYOT-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.53
Rot. Bonds4

About 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

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 (PubChem CID 58092271) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID58092271
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name4-[(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
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)C1CCCN1CC2
InChIInChI=1S/C25H24FN5O2/c1-29-20-9-11-30-10-2-3-21(30)24(20)19-6-7-22(28-25(19)29)31-12-8-18(13-23(31)32)33-15-17-5-4-16(26)14-27-17/h4-8,12-14,21H,2-3,9-11,15H2,1H3
InChIKeyFMUBCVKNNHRYOT-UHFFFAOYSA-N
XLogP3.53
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)C1CCCN1CC2.
What is the InChIKey of 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?
The InChIKey is FMUBCVKNNHRYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-29-20-9-11-30-10-2-3-21(30)24(20)19-6-7-22(28-25(19)29)31-12-8-18(13-23(31)32)33-15-17-5-4-16(26)14-27-17/h4-8,12-14,21H,2-3,9-11,15H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 445.50 g/mol, XLogP of 3.53, 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-(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 is sourced from PubChem (CID 58092271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).